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

C17H13ClN2O2 — CID 14269261

IUPACN-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)cc2)oc1-c1ccccc1
InChIInChI=1S/C17H13ClN2O2/c1-11(21)19-16-15(12-5-3-2-4-6-12)22-17(20-16)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21)
InChIKeyBACYMQOLTCJBPN-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.62
Rot. Bonds3

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

N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide (PubChem CID 14269261) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
PubChem CID14269261
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)cc2)oc1-c1ccccc1
InChIInChI=1S/C17H13ClN2O2/c1-11(21)19-16-15(12-5-3-2-4-6-12)22-17(20-16)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21)
InChIKeyBACYMQOLTCJBPN-UHFFFAOYSA-N
XLogP4.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 53382909
[2-(4-chlorophenyl)-4-phenyl-1,3-oxazol-5-yl] acetate
CID 69072680
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 173207485
5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
1-(4-chlorophenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392806
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545
5-(4-acetamidophenyl)-N-(4-methyl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 142162300
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 86048852
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 67332633

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide (CID 14269261) is N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide is CC(=O)Nc1nc(-c2ccc(Cl)cc2)oc1-c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is BACYMQOLTCJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11(21)19-16-15(12-5-3-2-4-6-12)22-17(20-16)13-7-9-14(18)10-8-13/h2-10H,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide?
N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 312.76 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 14269261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).