4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide

C19H16ClN3O3 — CID 110673681

IUPAC4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H16ClN3O3/c1-11-16(23-19(26-11)13-3-2-4-14(20)9-13)10-17(24)22-15-7-5-12(6-8-15)18(21)25/h2-9H,10H2,1H3,(H2,21,25)(H,22,24)
InChIKeyGTXSANSCZOSQSX-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.58
Rot. Bonds5

About 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide

4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide (PubChem CID 110673681) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide
PubChem CID110673681
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H16ClN3O3/c1-11-16(23-19(26-11)13-3-2-4-14(20)9-13)10-17(24)22-15-7-5-12(6-8-15)18(21)25/h2-9H,10H2,1H3,(H2,21,25)(H,22,24)
InChIKeyGTXSANSCZOSQSX-UHFFFAOYSA-N
XLogP3.58
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 110673683
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110420420
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110632940
N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
N-(3-acetamidophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356085
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide (CID 110673681) is 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide is Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide?
The InChIKey is GTXSANSCZOSQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11-16(23-19(26-11)13-3-2-4-14(20)9-13)10-17(24)22-15-7-5-12(6-8-15)18(21)25/h2-9H,10H2,1H3,(H2,21,25)(H,22,24).
What are the key properties of 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide?
4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide has a molecular weight of 369.81 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 110673681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).