N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C15H17ClN2O2 — CID 9068444

IUPACN-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-8(2)14-13(10(4)18-20-14)15(19)17-11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,19)
InChIKeyBREMHHFWNAVSHK-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.32
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 9068444) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID9068444
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-8(2)14-13(10(4)18-20-14)15(19)17-11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,19)
InChIKeyBREMHHFWNAVSHK-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9183588
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 168786225
3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700945
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
3-methyl-5-propan-2-yl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110621004
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29202643
2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120541105
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39135194
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 9068444) is N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is BREMHHFWNAVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-8(2)14-13(10(4)18-20-14)15(19)17-11-6-5-9(3)12(16)7-11/h5-8H,1-4H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9068444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).