2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one

C21H16N4O2 — CID 135487341

IUPAC2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one
SMILESCc1cc(Cn2c(-c3c[nH]c4ccccc34)nc3ccccc3c2=O)no1
InChIInChI=1S/C21H16N4O2/c1-13-10-14(24-27-13)12-25-20(17-11-22-18-8-4-2-6-15(17)18)23-19-9-5-3-7-16(19)21(25)26/h2-11,22H,12H2,1H3
InChIKeyFIACTWCWVVNHBR-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.89
Rot. Bonds3

About 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one

2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one (PubChem CID 135487341) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one
PubChem CID135487341
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one
SMILESCc1cc(Cn2c(-c3c[nH]c4ccccc34)nc3ccccc3c2=O)no1
InChIInChI=1S/C21H16N4O2/c1-13-10-14(24-27-13)12-25-20(17-11-22-18-8-4-2-6-15(17)18)23-19-9-5-3-7-16(19)21(25)26/h2-11,22H,12H2,1H3
InChIKeyFIACTWCWVVNHBR-UHFFFAOYSA-N
XLogP3.89
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 135623390
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-[(1S)-1-phenylethyl]quinazolin-4-one
CID 8951967
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid
CID 62039037
2-(1H-indol-3-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 135798291
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 26919048
2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3573584
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
3-benzyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 135408354
3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
CID 136665751
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 8954173
3-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 11935089

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one (CID 135487341) is 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one is Cc1cc(Cn2c(-c3c[nH]c4ccccc34)nc3ccccc3c2=O)no1.
What is the InChIKey of 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one?
The InChIKey is FIACTWCWVVNHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-13-10-14(24-27-13)12-25-20(17-11-22-18-8-4-2-6-15(17)18)23-19-9-5-3-7-16(19)21(25)26/h2-11,22H,12H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one?
2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one has a molecular weight of 356.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 135487341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).