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

C18H15ClN2O2 — CID 100512374

IUPAC2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H15ClN2O2/c1-2-20-17(22)14-5-3-4-6-15(14)18-21-11-16(23-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,20,22)
InChIKeyVNNQSRSQAVYQRZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.41
Rot. Bonds4

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

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide (PubChem CID 100512374) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
PubChem CID100512374
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H15ClN2O2/c1-2-20-17(22)14-5-3-4-6-15(14)18-21-11-16(23-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,20,22)
InChIKeyVNNQSRSQAVYQRZ-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100513460
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100512579
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100512478
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 133150118
N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502024
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylpropyl)benzamide
CID 100503798

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide (CID 100512374) is 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide is CCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide?
The InChIKey is VNNQSRSQAVYQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-20-17(22)14-5-3-4-6-15(14)18-21-11-16(23-18)12-7-9-13(19)10-8-12/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide?
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide has a molecular weight of 326.78 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide is sourced from PubChem (CID 100512374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).