2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide

C20H16ClN3O4 — CID 110630221

IUPAC2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CC(=O)Nc1cccc2c1OCC(=O)N2
InChIInChI=1S/C20H16ClN3O4/c1-11-16(24-20(28-11)12-5-7-13(21)8-6-12)9-17(25)22-14-3-2-4-15-19(14)27-10-18(26)23-15/h2-8H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyZLPCUUZUVIHCMM-UHFFFAOYSA-N
MW397.82 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide

2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide (PubChem CID 110630221) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
PubChem CID110630221
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CC(=O)Nc1cccc2c1OCC(=O)N2
InChIInChI=1S/C20H16ClN3O4/c1-11-16(24-20(28-11)12-5-7-13(21)8-6-12)9-17(25)22-14-3-2-4-15-19(14)27-10-18(26)23-15/h2-8H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyZLPCUUZUVIHCMM-UHFFFAOYSA-N
XLogP3.82
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110630222
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
CID 110630337
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
CID 110630339
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614527
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-quinolin-8-ylacetamide
CID 16622456
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 110407171
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-fluorophenyl)acetamide
CID 110420304
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 30372016
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide (CID 110630221) is 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide is Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)Nc1cccc2c1OCC(=O)N2.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
The InChIKey is ZLPCUUZUVIHCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c1-11-16(24-20(28-11)12-5-7-13(21)8-6-12)9-17(25)22-14-3-2-4-15-19(14)27-10-18(26)23-15/h2-8H,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide?
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide has a molecular weight of 397.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-oxo-4H-1,4-benzoxazin-8-yl)acetamide is sourced from PubChem (CID 110630221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).