2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane

C110H100BrN11O24 — CID 162059071

IUPAC2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane
SMILESC.CCOc1nc2cc(OC)c(-c3c(C)noc3C)cc2cc1C(=O)c1ccccc1.COc1cc(N)c(C=O)cc1-c1c(C)noc1C.COc1cc([N+](=O)[O-])c(C=O)cc1-c1c(C)noc1C.COc1cc([N+](=O)[O-])c(C=O)cc1Br.COc1cc2c(cc1-c1c(C)noc1C)C=C(C(=O)c1ccccc1)C(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)c1ccccc1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C28H23N3O4.C24H22N2O4.C23H19NO4.C13H12N2O5.C13H14N2O3.C8H6BrNO4.CH4/c1-17-26(18(2)35-30-17)22-13-20-14-23(27(32)19-9-5-4-6-10-19)28(33)31(24(20)15-25(22)34-3)16-21-11-7-8-12-29-21;1-5-29-24-19(23(27)16-9-7-6-8-10-16)12-17-11-18(21(28-4)13-20(17)25-24)22-14(2)26-30-15(22)3;1-13-22(14(2)28-24-13)19-10-16-9-18(23(26)15-7-5-4-6-8-15)20(25)11-17(16)12-21(19)27-3;1-7-13(8(2)20-14-7)10-4-9(6-16)11(15(17)18)5-12(10)19-3;1-7-13(8(2)18-15-7)10-4-9(6-16)11(14)5-12(10)17-3;1-14-8-3-7(10(12)13)5(4-11)2-6(8)9;/h4-15H,16H2,1-3H3;6-13H,5H2,1-4H3;4-10,12H,11H2,1-3H3;4-6H,1-3H3;4-6H,14H2,1-3H3;2-4H,1H3;1H4
InChIKeyYZORJXYTOCAWTE-UHFFFAOYSA-N
MW2039.97 g/mol
LogP22.32
Rot. Bonds26

About 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane

2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane (PubChem CID 162059071) has the molecular formula C110H100BrN11O24 and a molecular weight of 2039.97 g/mol. Its IUPAC name is 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane.

Molecular Properties

Compound Name2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane
PubChem CID162059071
Molecular FormulaC110H100BrN11O24
Molecular Weight2039.97 g/mol
Exact Mass2037.61
IUPAC Name2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane
SMILESC.CCOc1nc2cc(OC)c(-c3c(C)noc3C)cc2cc1C(=O)c1ccccc1.COc1cc(N)c(C=O)cc1-c1c(C)noc1C.COc1cc([N+](=O)[O-])c(C=O)cc1-c1c(C)noc1C.COc1cc([N+](=O)[O-])c(C=O)cc1Br.COc1cc2c(cc1-c1c(C)noc1C)C=C(C(=O)c1ccccc1)C(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)c1ccccc1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C28H23N3O4.C24H22N2O4.C23H19NO4.C13H12N2O5.C13H14N2O3.C8H6BrNO4.CH4/c1-17-26(18(2)35-30-17)22-13-20-14-23(27(32)19-9-5-4-6-10-19)28(33)31(24(20)15-25(22)34-3)16-21-11-7-8-12-29-21;1-5-29-24-19(23(27)16-9-7-6-8-10-16)12-17-11-18(21(28-4)13-20(17)25-24)22-14(2)26-30-15(22)3;1-13-22(14(2)28-24-13)19-10-16-9-18(23(26)15-7-5-4-6-8-15)20(25)11-17(16)12-21(19)27-3;1-7-13(8(2)20-14-7)10-4-9(6-16)11(15(17)18)5-12(10)19-3;1-7-13(8(2)18-15-7)10-4-9(6-16)11(14)5-12(10)17-3;1-14-8-3-7(10(12)13)5(4-11)2-6(8)9;/h4-15H,16H2,1-3H3;6-13H,5H2,1-4H3;4-10,12H,11H2,1-3H3;4-6H,1-3H3;4-6H,14H2,1-3H3;2-4H,1H3;1H4
InChIKeyYZORJXYTOCAWTE-UHFFFAOYSA-N
XLogP22.32
TPSA474.33 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.97
LogP ≤ 522.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane?
The IUPAC name of 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane (CID 162059071) is 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane.
What is the SMILES notation for 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane?
The canonical SMILES for 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane is C.CCOc1nc2cc(OC)c(-c3c(C)noc3C)cc2cc1C(=O)c1ccccc1.COc1cc(N)c(C=O)cc1-c1c(C)noc1C.COc1cc([N+](=O)[O-])c(C=O)cc1-c1c(C)noc1C.COc1cc([N+](=O)[O-])c(C=O)cc1Br.COc1cc2c(cc1-c1c(C)noc1C)C=C(C(=O)c1ccccc1)C(=O)C2.COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)c1ccccc1)c(=O)n2Cc1ccccn1.
What is the InChIKey of 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane?
The InChIKey is YZORJXYTOCAWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4.C24H22N2O4.C23H19NO4.C13H12N2O5.C13H14N2O3.C8H6BrNO4.CH4/c1-17-26(18(2)35-30-17)22-13-20-14-23(27(32)19-9-5-4-6-10-19)28(33)31(24(20)15-25(22)34-3)16-21-11-7-8-12-29-21;1-5-29-24-19(23(27)16-9-7-6-8-10-16)12-17-11-18(21(28-4)13-20(17)25-24)22-14(2)26-30-15(22)3;1-13-22(14(2)28-24-13)19-10-16-9-18(23(26)15-7-5-4-6-8-15)20(25)11-17(16)12-21(19)27-3;1-7-13(8(2)20-14-7)10-4-9(6-16)11(15(17)18)5-12(10)19-3;1-7-13(8(2)18-15-7)10-4-9(6-16)11(14)5-12(10)17-3;1-14-8-3-7(10(12)13)5(4-11)2-6(8)9;/h4-15H,16H2,1-3H3;6-13H,5H2,1-4H3;4-10,12H,11H2,1-3H3;4-6H,1-3H3;4-6H,14H2,1-3H3;2-4H,1H3;1H4.
What are the key properties of 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane?
2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane has a molecular weight of 2039.97 g/mol, XLogP of 22.32, 26 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxybenzaldehyde;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1H-naphthalen-2-one;3-benzoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;5-bromo-4-methoxy-2-nitrobenzaldehyde;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxy-7-methoxyquinolin-3-yl]-phenylmethanone;5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxy-2-nitrobenzaldehyde;methane is sourced from PubChem (CID 162059071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).