N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C18H21ClN2O2 — CID 130187969

IUPACN-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(C2CC2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)16(12-6-8-13(19)9-7-12)20-17(22)14-10-15(23-21-14)11-4-5-11/h6-11,16H,4-5H2,1-3H3,(H,20,22)
InChIKeyJEMVNPONSCAJBY-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.72
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130187969) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130187969
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(C2CC2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)16(12-6-8-13(19)9-7-12)20-17(22)14-10-15(23-21-14)11-4-5-11/h6-11,16H,4-5H2,1-3H3,(H,20,22)
InChIKeyJEMVNPONSCAJBY-UHFFFAOYSA-N
XLogP4.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-chlorophenyl)-3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 97184877
N-[(S)-(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 97157679
5-cyclopropyl-N-[1-(1H-indazol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide
CID 130188030
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
2-(4-bromophenyl)-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 119197846
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 96997695
5-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 113339620
N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395363
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 166241795
5-cyclopropyl-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 42940487

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130187969) is N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is CC(C)(C)C(NC(=O)c1cc(C2CC2)on1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is JEMVNPONSCAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,3)16(12-6-8-13(19)9-7-12)20-17(22)14-10-15(23-21-14)11-4-5-11/h6-11,16H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130187969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).