[3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol

C90H82Cl7F7N16O26 — CID 172951182

About [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol

[3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol (PubChem CID 172951182) has the molecular formula C90H82Cl7F7N16O26 and a molecular weight of 2184.89 g/mol. Its IUPAC name is [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol.

Molecular Properties

• Compound Name: [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol
• PubChem CID: 172951182
• Molecular Formula: C90H82Cl7F7N16O26
• Molecular Weight: 2184.89 g/mol
• Exact Mass: 2180.33
• IUPAC Name: [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol
• SMILES: CC(=O)OCC1(C)CC(c2cc(-n3c(=O)cc(C)[nH]c3=O)c(F)cc2Cl)=NO1.CC(=O)OCC1(C)CC(c2cc(-n3c(=O)cc(C)n(C)c3=O)c(F)cc2Cl)=NO1.CC1(CO)CC(c2cc(N)c(F)cc2Cl)=NO1.CC1(CO)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1.Cc1cc(=O)n(-c2cc(C3=NOC(C)(CO)C3)c(Cl)cc2F)c(=O)n1C.O=Cc1cc([N+](=O)[O-])c(F)cc1Cl.O=[N+]([O-])c1cc(/C=N/O)c(Cl)cc1F
• InChI: InChI=1S/C19H19ClFN3O5.C18H17ClFN3O5.C17H17ClFN3O4.C11H10ClFN2O4.C11H12ClFN2O2.C7H4ClFN2O3.C7H3ClFNO3/c1-10-5-17(26)24(18(27)23(10)4)16-6-12(13(20)7-14(16)21)15-8-19(3,29-22-15)9-28-11(2)25;1-9-4-16(25)23(17(26)21-9)15-5-11(12(19)6-13(15)20)14-7-18(3,28-22-14)8-27-10(2)24;1-9-4-15(24)22(16(25)21(9)3)14-5-10(11(18)6-12(14)19)13-7-17(2,8-23)26-20-13;1-11(5-16)4-9(14-19-11)6-2-10(15(17)18)8(13)3-7(6)12;1-11(5-16)4-10(15-17-11)6-2-9(14)8(13)3-7(6)12;8-5-2-6(9)7(11(13)14)1-4(5)3-10-12;8-5-2-6(9)7(10(12)13)1-4(5)3-11/h5-7H,8-9H2,1-4H3;4-6H,7-8H2,1-3H3,(H,21,26);4-6,23H,7-8H2,1-3H3;2-3,16H,4-5H2,1H3;2-3,16H,4-5,14H2,1H3;1-3,12H;1-3H/b;;;;;10-3+
• InChIKey: MYHVZSXNXMHCAZ-NCGJWVFJSA-N
• XLogP: 14.26
• TPSA: 569.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.89
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol?

The IUPAC name of [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol (CID 172951182) is [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol.

What is the SMILES notation for [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol?

The canonical SMILES for [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol is CC(=O)OCC1(C)CC(c2cc(-n3c(=O)cc(C)[nH]c3=O)c(F)cc2Cl)=NO1.CC(=O)OCC1(C)CC(c2cc(-n3c(=O)cc(C)n(C)c3=O)c(F)cc2Cl)=NO1.CC1(CO)CC(c2cc(N)c(F)cc2Cl)=NO1.CC1(CO)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1.Cc1cc(=O)n(-c2cc(C3=NOC(C)(CO)C3)c(Cl)cc2F)c(=O)n1C.O=Cc1cc([N+](=O)[O-])c(F)cc1Cl.O=[N+]([O-])c1cc(/C=N/O)c(Cl)cc1F.

What is the InChIKey of [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol?

The InChIKey is MYHVZSXNXMHCAZ-NCGJWVFJSA-N. The full InChI is InChI=1S/C19H19ClFN3O5.C18H17ClFN3O5.C17H17ClFN3O4.C11H10ClFN2O4.C11H12ClFN2O2.C7H4ClFN2O3.C7H3ClFNO3/c1-10-5-17(26)24(18(27)23(10)4)16-6-12(13(20)7-14(16)21)15-8-19(3,29-22-15)9-28-11(2)25;1-9-4-16(25)23(17(26)21-9)15-5-11(12(19)6-13(15)20)14-7-18(3,28-22-14)8-27-10(2)24;1-9-4-15(24)22(16(25)21(9)3)14-5-10(11(18)6-12(14)19)13-7-17(2,8-23)26-20-13;1-11(5-16)4-9(14-19-11)6-2-10(15(17)18)8(13)3-7(6)12;1-11(5-16)4-10(15-17-11)6-2-9(14)8(13)3-7(6)12;8-5-2-6(9)7(11(13)14)1-4(5)3-10-12;8-5-2-6(9)7(10(12)13)1-4(5)3-11/h5-7H,8-9H2,1-4H3;4-6H,7-8H2,1-3H3,(H,21,26);4-6,23H,7-8H2,1-3H3;2-3,16H,4-5H2,1H3;2-3,16H,4-5,14H2,1H3;1-3,12H;1-3H/b;;;;;10-3+;.

What are the key properties of [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol?

[3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol has a molecular weight of 2184.89 g/mol, XLogP of 14.26, 20 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-amino-2-chloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol;[3-[2-chloro-5-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;3-[4-chloro-2-fluoro-5-[5-(hydroxymethyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]-1,6-dimethylpyrimidine-2,4-dione;[3-[2-chloro-4-fluoro-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)phenyl]-5-methyl-4H-1,2-oxazol-5-yl]methyl acetate;2-chloro-4-fluoro-5-nitrobenzaldehyde;(NE)-N-[(2-chloro-4-fluoro-5-nitrophenyl)methylidene]hydroxylamine;[3-(2-chloro-4-fluoro-5-nitrophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 172951182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).