4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid

C13H10N2O3 — CID 165438058

IUPAC4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(-c2cccc3cc[nH]c23)c(C(=O)O)o1
InChIInChI=1S/C13H10N2O3/c1-7-15-11(12(18-7)13(16)17)9-4-2-3-8-5-6-14-10(8)9/h2-6,14H,1H3,(H,16,17)
InChIKeyYGAOSLWGNUBFGR-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.83
Rot. Bonds2

About 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid

4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid (PubChem CID 165438058) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid
PubChem CID165438058
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(-c2cccc3cc[nH]c23)c(C(=O)O)o1
InChIInChI=1S/C13H10N2O3/c1-7-15-11(12(18-7)13(16)17)9-4-2-3-8-5-6-14-10(8)9/h2-6,14H,1H3,(H,16,17)
InChIKeyYGAOSLWGNUBFGR-UHFFFAOYSA-N
XLogP2.83
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117326348
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-oxazole-5-carboxylic acid
CID 82302136
1H-indole-7-carboxylic acid;hydrochloride
CID 67635723
7-[6-[6-(1H-indol-7-yl)-2-pyridinyl]-2-pyridinyl]-1H-indole
CID 145302463
(3S)-3-(1H-indol-7-yl)butanoic acid
CID 96762196
2-(1H-indol-7-yl)-3-methylbutanoic acid
CID 82614338
2-[[5-(1H-indol-7-yl)-4H-pyrazol-3-yl]sulfanyl]acetic acid
CID 148605762
3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile
CID 166395343
1-amino-1-(1H-indol-7-yl)propan-2-one
CID 55270531
N-(1H-indol-7-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112526586
7-pyrimidin-5-yl-1H-indole
CID 155804260
1H-indol-7-yl-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169421964

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid (CID 165438058) is 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid is Cc1nc(-c2cccc3cc[nH]c23)c(C(=O)O)o1.
What is the InChIKey of 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is YGAOSLWGNUBFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-15-11(12(18-7)13(16)17)9-4-2-3-8-5-6-14-10(8)9/h2-6,14H,1H3,(H,16,17).
What are the key properties of 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid?
4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-7-yl)-2-methyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 165438058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).