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

C15H17ClN2O2 — CID 59420457

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O2/c1-15(2,3)12-9-14(20-18-12)17-13(19)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyVDIQYJAQKVUNLY-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.81
Rot. Bonds3

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

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 59420457) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
PubChem CID59420457
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O2/c1-15(2,3)12-9-14(20-18-12)17-13(19)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyVDIQYJAQKVUNLY-UHFFFAOYSA-N
XLogP3.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 51248804
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636958
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide
CID 59420462
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7627100
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 18227468
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794463
4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide
CID 102851049
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide (CID 59420457) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide?
The InChIKey is VDIQYJAQKVUNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-15(2,3)12-9-14(20-18-12)17-13(19)8-10-4-6-11(16)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 292.77 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 59420457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).