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

C15H17ClN2O3 — CID 110684731

IUPACN-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2oc(C)nc2C(C)C)cc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-8(2)13-14(21-9(3)17-13)15(19)18-10-5-6-12(20-4)11(16)7-10/h5-8H,1-4H3,(H,18,19)
InChIKeyNFWHNGXKGXJUQU-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.02
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684731) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684731
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2oc(C)nc2C(C)C)cc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-8(2)13-14(21-9(3)17-13)15(19)18-10-5-6-12(20-4)11(16)7-10/h5-8H,1-4H3,(H,18,19)
InChIKeyNFWHNGXKGXJUQU-UHFFFAOYSA-N
XLogP4.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684744
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684758
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26735908
5-amino-N-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 82344272
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110684731) is N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is COc1ccc(NC(=O)c2oc(C)nc2C(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is NFWHNGXKGXJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-8(2)13-14(21-9(3)17-13)15(19)18-10-5-6-12(20-4)11(16)7-10/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).