3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one

C18H18N4O2 — CID 163974931

IUPAC3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1nc(-c2ccc(Cn3cnc4c(c3=O)CCCC4)cc2)no1
InChIInChI=1S/C18H18N4O2/c1-12-20-17(21-24-12)14-8-6-13(7-9-14)10-22-11-19-16-5-3-2-4-15(16)18(22)23/h6-9,11H,2-5,10H2,1H3
InChIKeySTGUFCATRXUEKK-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.53
Rot. Bonds3

About 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one

3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 163974931) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID163974931
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1nc(-c2ccc(Cn3cnc4c(c3=O)CCCC4)cc2)no1
InChIInChI=1S/C18H18N4O2/c1-12-20-17(21-24-12)14-8-6-13(7-9-14)10-22-11-19-16-5-3-2-4-15(16)18(22)23/h6-9,11H,2-5,10H2,1H3
InChIKeySTGUFCATRXUEKK-UHFFFAOYSA-N
XLogP2.53
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one (CID 163974931) is 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one is Cc1nc(-c2ccc(Cn3cnc4c(c3=O)CCCC4)cc2)no1.
What is the InChIKey of 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is STGUFCATRXUEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-20-17(21-24-12)14-8-6-13(7-9-14)10-22-11-19-16-5-3-2-4-15(16)18(22)23/h6-9,11H,2-5,10H2,1H3.
What are the key properties of 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one?
3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 322.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 163974931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).