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

C14H11ClN2O4 — CID 7554552

IUPAC(3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3C(=O)O2)no1
InChIInChI=1S/C14H11ClN2O4/c1-7-4-12(17-21-7)16-13(18)11-6-8-5-9(15)2-3-10(8)14(19)20-11/h2-5,11H,6H2,1H3,(H,16,17,18)/t11-/m1/s1
InChIKeyJPIVLFMYIUBUMD-LLVKDONJSA-N
MW306.71 g/mol
LogP2.36
Rot. Bonds2

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

(3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 7554552) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID7554552
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name(3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3C(=O)O2)no1
InChIInChI=1S/C14H11ClN2O4/c1-7-4-12(17-21-7)16-13(18)11-6-8-5-9(15)2-3-10(8)14(19)20-11/h2-5,11H,6H2,1H3,(H,16,17,18)/t11-/m1/s1
InChIKeyJPIVLFMYIUBUMD-LLVKDONJSA-N
XLogP2.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-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

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
N-(3-acetylphenyl)-6-chloro-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4904890
(3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide
CID 41092291
6-chloro-N-(2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4901397
N-(3,4-dichlorophenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4870540
dimethyl 2-[[(3R)-6-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 41092225
6-chloro-N-(3-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4908522
(5R)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260064
(3S)-N-(2,5-dichlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 941228
N-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 3921971
6-chloro-1-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydroisochromene-3-carboxamide
CID 166296286
(2S)-1-(2,4-dichlorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110284831

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 7554552) is (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is Cc1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3C(=O)O2)no1.
What is the InChIKey of (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is JPIVLFMYIUBUMD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-7-4-12(17-21-7)16-13(18)11-6-8-5-9(15)2-3-10(8)14(19)20-11/h2-5,11H,6H2,1H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
(3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 7554552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).