5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid

C14H12N2O4 — CID 115109089

IUPAC5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1c(-c2oncc2C(=O)O)c2cc(O)ccc2n1C
InChIInChI=1S/C14H12N2O4/c1-7-12(13-10(14(18)19)6-15-20-13)9-5-8(17)3-4-11(9)16(7)2/h3-6,17H,1-2H3,(H,18,19)
InChIKeyMAWMATATTSBADR-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.55
Rot. Bonds2

About 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid

5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 115109089) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID115109089
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
SMILESCc1c(-c2oncc2C(=O)O)c2cc(O)ccc2n1C
InChIInChI=1S/C14H12N2O4/c1-7-12(13-10(14(18)19)6-15-20-13)9-5-8(17)3-4-11(9)16(7)2/h3-6,17H,1-2H3,(H,18,19)
InChIKeyMAWMATATTSBADR-UHFFFAOYSA-N
XLogP2.55
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 82299507
5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 112706804
5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109391
5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109327
ethane;3-fluoro-1,2-dimethylindol-5-ol
CID 145147289
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 131400101
N-(5-hydroxy-1,2-dimethylindol-3-yl)acetamide
CID 12616715
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
CID 75356057
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986316
5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
CID 115108852
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid (CID 115109089) is 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid is Cc1c(-c2oncc2C(=O)O)c2cc(O)ccc2n1C.
What is the InChIKey of 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is MAWMATATTSBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-7-12(13-10(14(18)19)6-15-20-13)9-5-8(17)3-4-11(9)16(7)2/h3-6,17H,1-2H3,(H,18,19).
What are the key properties of 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid?
5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-1,2-dimethylindol-3-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 115109089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).