N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide

C88H86Cl2FN9O12 — CID 167683265

IUPACN-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(F)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)nc2)cc1Cl
InChIInChI=1S/C23H24N2O3.C22H21ClN2O3.C22H21FN2O3.C21H20ClN3O3/c1-5-23(27)25(4)19-10-11-20(15(2)12-19)17-6-8-18(9-7-17)21(26)13-22-24-14-16(3)28-22;2*1-4-22(27)25(3)17-9-10-18(19(23)11-17)15-5-7-16(8-6-15)20(26)12-21-24-13-14(2)28-21;1-4-21(27)25(3)18-8-6-14(9-16(18)22)15-5-7-17(23-12-15)19(26)10-20-24-11-13(2)28-20/h6-12,14H,5,13H2,1-4H3;2*5-11,13H,4,12H2,1-3H3;5-9,11-12H,4,10H2,1-3H3
InChIKeyVVPVGMJHGIROPM-UHFFFAOYSA-N
MW1551.61 g/mol
LogP18.94
Rot. Bonds24

About N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide

N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide (PubChem CID 167683265) has the molecular formula C88H86Cl2FN9O12 and a molecular weight of 1551.61 g/mol. Its IUPAC name is N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide
PubChem CID167683265
Molecular FormulaC88H86Cl2FN9O12
Molecular Weight1551.61 g/mol
Exact Mass1549.58
IUPAC NameN-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(F)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)nc2)cc1Cl
InChIInChI=1S/C23H24N2O3.C22H21ClN2O3.C22H21FN2O3.C21H20ClN3O3/c1-5-23(27)25(4)19-10-11-20(15(2)12-19)17-6-8-18(9-7-17)21(26)13-22-24-14-16(3)28-22;2*1-4-22(27)25(3)17-9-10-18(19(23)11-17)15-5-7-16(8-6-15)20(26)12-21-24-13-14(2)28-21;1-4-21(27)25(3)18-8-6-14(9-16(18)22)15-5-7-17(23-12-15)19(26)10-20-24-11-13(2)28-20/h6-12,14H,5,13H2,1-4H3;2*5-11,13H,4,12H2,1-3H3;5-9,11-12H,4,10H2,1-3H3
InChIKeyVVPVGMJHGIROPM-UHFFFAOYSA-N
XLogP18.94
TPSA266.53 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms112
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.61
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide?
The IUPAC name of N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide (CID 167683265) is N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide?
The canonical SMILES for N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(C)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(F)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)nc2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide?
The InChIKey is VVPVGMJHGIROPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3.C22H21ClN2O3.C22H21FN2O3.C21H20ClN3O3/c1-5-23(27)25(4)19-10-11-20(15(2)12-19)17-6-8-18(9-7-17)21(26)13-22-24-14-16(3)28-22;2*1-4-22(27)25(3)17-9-10-18(19(23)11-17)15-5-7-16(8-6-15)20(26)12-21-24-13-14(2)28-21;1-4-21(27)25(3)18-8-6-14(9-16(18)22)15-5-7-17(23-12-15)19(26)10-20-24-11-13(2)28-20/h6-12,14H,5,13H2,1-4H3;2*5-11,13H,4,12H2,1-3H3;5-9,11-12H,4,10H2,1-3H3.
What are the key properties of N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide?
N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide has a molecular weight of 1551.61 g/mol, XLogP of 18.94, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 167683265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).