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

C17H13ClN2O2 — CID 139917835

IUPACN-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccccc2)nc1-c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O2/c1-11(21)19-17-15(13-9-5-6-10-14(13)18)20-16(22-17)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,21)
InChIKeyHXXOZRUJYOUQLI-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.62
Rot. Bonds3

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

N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide (PubChem CID 139917835) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
PubChem CID139917835
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccccc2)nc1-c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O2/c1-11(21)19-17-15(13-9-5-6-10-14(13)18)20-16(22-17)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,21)
InChIKeyHXXOZRUJYOUQLI-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-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
CID 139917923
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methoxyphenyl)acetamide
CID 139918040
N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide
CID 139917864
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide
CID 139917941
N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide
CID 139918004
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]acetamide
CID 57197415
5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole
CID 132510794
N-[4-(3-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139918012
1-[2,6-di(propan-2-yl)phenyl]-3-[4-(2-methylphenyl)-2-phenyl-1,3-oxazol-5-yl]urea
CID 67703235
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetamide
CID 57224621
N-[4-(2-chlorophenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 158160308
N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide
CID 25010438

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide (CID 139917835) is N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide is CC(=O)Nc1oc(-c2ccccc2)nc1-c1ccccc1Cl.
What is the InChIKey of N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide?
The InChIKey is HXXOZRUJYOUQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11(21)19-17-15(13-9-5-6-10-14(13)18)20-16(22-17)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,21).
What are the key properties of N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide?
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-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-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 139917835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).