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

C14H12N2O3 — CID 82299508

IUPAC4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCc1c(-c2ncoc2C(=O)O)c2ccccc2n1C
InChIInChI=1S/C14H12N2O3/c1-8-11(12-13(14(17)18)19-7-15-12)9-5-3-4-6-10(9)16(8)2/h3-7H,1-2H3,(H,17,18)
InChIKeyBSVLVPYQCPTALE-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.84
Rot. Bonds2

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

4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 82299508) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID82299508
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCc1c(-c2ncoc2C(=O)O)c2ccccc2n1C
InChIInChI=1S/C14H12N2O3/c1-8-11(12-13(14(17)18)19-7-15-12)9-5-3-4-6-10(9)16(8)2/h3-7H,1-2H3,(H,17,18)
InChIKeyBSVLVPYQCPTALE-UHFFFAOYSA-N
XLogP2.84
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid (CID 82299508) is 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid is Cc1c(-c2ncoc2C(=O)O)c2ccccc2n1C.
What is the InChIKey of 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is BSVLVPYQCPTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8-11(12-13(14(17)18)19-7-15-12)9-5-3-4-6-10(9)16(8)2/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid?
4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylindol-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82299508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).