N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide

C19H17ClN2O2 — CID 16866727

IUPACN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c1
InChIInChI=1S/C19H17ClN2O2/c1-12-7-13(2)9-15(8-12)19(23)21-11-17-10-18(24-22-17)14-3-5-16(20)6-4-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyWNAWAIDVSMIIMQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.54
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide

N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide (PubChem CID 16866727) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
PubChem CID16866727
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c1
InChIInChI=1S/C19H17ClN2O2/c1-12-7-13(2)9-15(8-12)19(23)21-11-17-10-18(24-22-17)14-3-5-16(20)6-4-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyWNAWAIDVSMIIMQ-UHFFFAOYSA-N
XLogP4.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-nitrobenzamide
CID 16866764
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
CID 16866852
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866628
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 91766494

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide (CID 16866727) is N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide?
The InChIKey is WNAWAIDVSMIIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12-7-13(2)9-15(8-12)19(23)21-11-17-10-18(24-22-17)14-3-5-16(20)6-4-14/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide?
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide has a molecular weight of 340.81 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 16866727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).