5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide

C21H18N4O3 — CID 47072560

IUPAC5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C21H18N4O3/c1-13-17(12-22-28-13)20(26)23-15-7-9-16(10-8-15)24-21(27)19-11-14-5-3-4-6-18(14)25(19)2/h3-12H,1-2H3,(H,23,26)(H,24,27)
InChIKeyNBKQHQSLIFQOEG-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.98
Rot. Bonds4

About 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 47072560) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID47072560
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C21H18N4O3/c1-13-17(12-22-28-13)20(26)23-15-7-9-16(10-8-15)24-21(27)19-11-14-5-3-4-6-18(14)25(19)2/h3-12H,1-2H3,(H,23,26)(H,24,27)
InChIKeyNBKQHQSLIFQOEG-UHFFFAOYSA-N
XLogP3.98
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide (CID 47072560) is 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3n2C)cc1.
What is the InChIKey of 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is NBKQHQSLIFQOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-17(12-22-28-13)20(26)23-15-7-9-16(10-8-15)24-21(27)19-11-14-5-3-4-6-18(14)25(19)2/h3-12H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(1-methylindole-2-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47072560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).