(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C14H12N2O4 — CID 99631997

IUPAC(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)no1
InChIInChI=1S/C14H12N2O4/c1-8-6-11(15-20-8)13(17)16-7-10(14(18)19)9-4-2-3-5-12(9)16/h2-6,10H,7H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyRAZVHZKFUNLQBE-SNVBAGLBSA-N
MW272.26 g/mol
LogP1.81
Rot. Bonds2

About (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 99631997) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID99631997
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)no1
InChIInChI=1S/C14H12N2O4/c1-8-6-11(15-20-8)13(17)16-7-10(14(18)19)9-4-2-3-5-12(9)16/h2-6,10H,7H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyRAZVHZKFUNLQBE-SNVBAGLBSA-N
XLogP1.81
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564086
1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691469
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564886
(3S)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574042
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691327
1-(1-methylimidazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107971594
1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80562800
(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032
(3S)-1-(3-methylfuran-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574082
(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124575454
(3R)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574031
1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564421

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 99631997) is (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1cc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)no1.
What is the InChIKey of (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is RAZVHZKFUNLQBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-6-11(15-20-8)13(17)16-7-10(14(18)19)9-4-2-3-5-12(9)16/h2-6,10H,7H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 99631997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).