2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide

C16H19ClN2O2 — CID 84576925

IUPAC2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide
SMILESCc1nc(C(C)(C)C)oc1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c1-10-13(21-15(18-10)16(2,3)4)9-14(20)19-12-7-5-11(17)6-8-12/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyUAAGSILIHGNOJB-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.12
Rot. Bonds3

About 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide

2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 84576925) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide
PubChem CID84576925
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide
SMILESCc1nc(C(C)(C)C)oc1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O2/c1-10-13(21-15(18-10)16(2,3)4)9-14(20)19-12-7-5-11(17)6-8-12/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyUAAGSILIHGNOJB-UHFFFAOYSA-N
XLogP4.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 84575416
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(2-methylphenyl)acetamide
CID 84576353
N-(4-acetamidophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680155
N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680134
N-benzhydryl-2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)acetamide
CID 84576768
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680187
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-(4-bromophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110650188
N-(4-ethylphenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110649816
2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
CID 112980356
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide (CID 84576925) is 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide is Cc1nc(C(C)(C)C)oc1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is UAAGSILIHGNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-13(21-15(18-10)16(2,3)4)9-14(20)19-12-7-5-11(17)6-8-12/h5-8H,9H2,1-4H3,(H,19,20).
What are the key properties of 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide?
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 306.79 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 84576925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).