2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid

C21H17N3O4 — CID 25106081

IUPAC2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid
SMILESCc1oncc1C(=O)Nc1ccc(-n2cc(CC(=O)O)c3ccccc32)cc1
InChIInChI=1S/C21H17N3O4/c1-13-18(11-22-28-13)21(27)23-15-6-8-16(9-7-15)24-12-14(10-20(25)26)17-4-2-3-5-19(17)24/h2-9,11-12H,10H2,1H3,(H,23,27)(H,25,26)
InChIKeyDSUZSHCTOCSMNT-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.81
Rot. Bonds5

About 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid

2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid (PubChem CID 25106081) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid
PubChem CID25106081
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid
SMILESCc1oncc1C(=O)Nc1ccc(-n2cc(CC(=O)O)c3ccccc32)cc1
InChIInChI=1S/C21H17N3O4/c1-13-18(11-22-28-13)21(27)23-15-6-8-16(9-7-15)24-12-14(10-20(25)26)17-4-2-3-5-19(17)24/h2-9,11-12H,10H2,1H3,(H,23,27)(H,25,26)
InChIKeyDSUZSHCTOCSMNT-UHFFFAOYSA-N
XLogP3.81
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid (CID 25106081) is 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid is Cc1oncc1C(=O)Nc1ccc(-n2cc(CC(=O)O)c3ccccc32)cc1.
What is the InChIKey of 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid?
The InChIKey is DSUZSHCTOCSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-13-18(11-22-28-13)21(27)23-15-6-8-16(9-7-15)24-12-14(10-20(25)26)17-4-2-3-5-19(17)24/h2-9,11-12H,10H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid?
2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid has a molecular weight of 375.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid is sourced from PubChem (CID 25106081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).