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

C20H15N5O2 — CID 136665751

IUPAC3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1Cc1noc(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C20H15N5O2/c1-12-21-16-9-5-3-7-14(16)20(26)25(12)11-18-23-19(27-24-18)17-10-13-6-2-4-8-15(13)22-17/h2-10,22H,11H2,1H3
InChIKeyADCLBRGKMPYNAR-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.28
Rot. Bonds3

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

3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one (PubChem CID 136665751) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
PubChem CID136665751
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1Cc1noc(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C20H15N5O2/c1-12-21-16-9-5-3-7-14(16)20(26)25(12)11-18-23-19(27-24-18)17-10-13-6-2-4-8-15(13)22-17/h2-10,22H,11H2,1H3
InChIKeyADCLBRGKMPYNAR-UHFFFAOYSA-N
XLogP3.28
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one (CID 136665751) is 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1Cc1noc(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one?
The InChIKey is ADCLBRGKMPYNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-12-21-16-9-5-3-7-14(16)20(26)25(12)11-18-23-19(27-24-18)17-10-13-6-2-4-8-15(13)22-17/h2-10,22H,11H2,1H3.
What are the key properties of 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one?
3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one has a molecular weight of 357.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 136665751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).