1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid

C14H12N2O4 — CID 102711144

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESCc1cc(CN2C(=O)Cc3cc(C(=O)O)ccc32)on1
InChIInChI=1S/C14H12N2O4/c1-8-4-11(20-15-8)7-16-12-3-2-9(14(18)19)5-10(12)6-13(16)17/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyGRGQCVQYLMDMGZ-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.77
Rot. Bonds3

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 102711144) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
PubChem CID102711144
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESCc1cc(CN2C(=O)Cc3cc(C(=O)O)ccc32)on1
InChIInChI=1S/C14H12N2O4/c1-8-4-11(20-15-8)7-16-12-3-2-9(14(18)19)5-10(12)6-13(16)17/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyGRGQCVQYLMDMGZ-UHFFFAOYSA-N
XLogP1.77
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711143
4-[(5-acetyl-2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 84758253
1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102710960
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662518
1-(2-methylprop-2-enyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711163
1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711155
2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
CID 102711222
1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711151
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid
CID 63749669
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102711009
1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711203

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid (CID 102711144) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid is Cc1cc(CN2C(=O)Cc3cc(C(=O)O)ccc32)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is GRGQCVQYLMDMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-4-11(20-15-8)7-16-12-3-2-9(14(18)19)5-10(12)6-13(16)17/h2-5H,6-7H2,1H3,(H,18,19).
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 102711144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).