2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid

C24H17N3O5 — CID 25158920

IUPAC2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc3c(C(=O)O)cccc3o2)c1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H17N3O5/c1-31-18-10-4-7-14(23-27-21-15(24(29)30)8-5-11-19(21)32-23)20(18)26-22(28)17-12-13-6-2-3-9-16(13)25-17/h2-12,25H,1H3,(H,26,28)(H,29,30)
InChIKeyXTUKJRWSYOZTDQ-UHFFFAOYSA-N
MW427.42 g/mol
LogP4.94
Rot. Bonds5

About 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid

2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid (PubChem CID 25158920) has the molecular formula C24H17N3O5 and a molecular weight of 427.42 g/mol. Its IUPAC name is 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid
PubChem CID25158920
Molecular FormulaC24H17N3O5
Molecular Weight427.42 g/mol
Exact Mass427.12
IUPAC Name2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid
SMILESCOc1cccc(-c2nc3c(C(=O)O)cccc3o2)c1NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H17N3O5/c1-31-18-10-4-7-14(23-27-21-15(24(29)30)8-5-11-19(21)32-23)20(18)26-22(28)17-12-13-6-2-3-9-16(13)25-17/h2-12,25H,1H3,(H,26,28)(H,29,30)
InChIKeyXTUKJRWSYOZTDQ-UHFFFAOYSA-N
XLogP4.94
TPSA117.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-[(2-hydroxybenzoyl)amino]-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylate
CID 25157807
2-(2-benzamido-3-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 25158661
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
2-[3-hydroxy-2-(pyridine-2-carbonylamino)phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 25158397
5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481756
methyl 2-(2-acetamidophenyl)-1,3-benzoxazole-4-carboxylate
CID 122374310
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81479496
2-(2-bromo-5-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345820
5-fluoro-2-(1H-indole-2-carbonylamino)benzoic acid
CID 43823307
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 155903060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid (CID 25158920) is 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid is COc1cccc(-c2nc3c(C(=O)O)cccc3o2)c1NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is XTUKJRWSYOZTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O5/c1-31-18-10-4-7-14(23-27-21-15(24(29)30)8-5-11-19(21)32-23)20(18)26-22(28)17-12-13-6-2-3-9-16(13)25-17/h2-12,25H,1H3,(H,26,28)(H,29,30).
What are the key properties of 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid?
2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 427.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indole-2-carbonylamino)-3-methoxyphenyl]-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 25158920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).