(3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide

C15H13ClN2O4 — CID 41092291

IUPAC(3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide
SMILESCc1cc(NC(=O)[C@@]2(C)Cc3cc(Cl)ccc3C(=O)O2)no1
InChIInChI=1S/C15H13ClN2O4/c1-8-5-12(18-22-8)17-14(20)15(2)7-9-6-10(16)3-4-11(9)13(19)21-15/h3-6H,7H2,1-2H3,(H,17,18,20)/t15-/m1/s1
InChIKeyBYAOTKFEROSGAF-OAHLLOKOSA-N
MW320.73 g/mol
LogP2.75
Rot. Bonds2

About (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide

(3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 41092291) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide
PubChem CID41092291
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name(3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide
SMILESCc1cc(NC(=O)[C@@]2(C)Cc3cc(Cl)ccc3C(=O)O2)no1
InChIInChI=1S/C15H13ClN2O4/c1-8-5-12(18-22-8)17-14(20)15(2)7-9-6-10(16)3-4-11(9)13(19)21-15/h3-6H,7H2,1-2H3,(H,17,18,20)/t15-/m1/s1
InChIKeyBYAOTKFEROSGAF-OAHLLOKOSA-N
XLogP2.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-methyl-N-(2-methyl-4-nitrophenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 4904536
(3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 7554552
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946065
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358
6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4906092
(3R)-7-chloro-N-(2-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 42107462
3,6-dimethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide
CID 4976245
N-(4-iodo-2-methylphenyl)-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 4902837
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
CID 4904914
N-[(4-chlorophenyl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 16556934
dimethyl 2-[[(3S)-7-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 42107471

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide (CID 41092291) is (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide is Cc1cc(NC(=O)[C@@]2(C)Cc3cc(Cl)ccc3C(=O)O2)no1.
What is the InChIKey of (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is BYAOTKFEROSGAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-8-5-12(18-22-8)17-14(20)15(2)7-9-6-10(16)3-4-11(9)13(19)21-15/h3-6H,7H2,1-2H3,(H,17,18,20)/t15-/m1/s1.
What are the key properties of (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide?
(3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 320.73 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 41092291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).