5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole

C20H28N6O — CID 133460446

IUPAC5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc2c(c(N3CCCN(Cc4noc(C5CC5)n4)CC3)n1)CCCC2
InChIInChI=1S/C20H28N6O/c1-14-21-17-6-3-2-5-16(17)19(22-14)26-10-4-9-25(11-12-26)13-18-23-20(27-24-18)15-7-8-15/h15H,2-13H2,1H3
InChIKeyWYVUQMYDPGJUJJ-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.64
Rot. Bonds4

About 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 133460446) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID133460446
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc2c(c(N3CCCN(Cc4noc(C5CC5)n4)CC3)n1)CCCC2
InChIInChI=1S/C20H28N6O/c1-14-21-17-6-3-2-5-16(17)19(22-14)26-10-4-9-25(11-12-26)13-18-23-20(27-24-18)15-7-8-15/h15H,2-13H2,1H3
InChIKeyWYVUQMYDPGJUJJ-UHFFFAOYSA-N
XLogP2.64
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole 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 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole (CID 133460446) is 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc2c(c(N3CCCN(Cc4noc(C5CC5)n4)CC3)n1)CCCC2.
What is the InChIKey of 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WYVUQMYDPGJUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-14-21-17-6-3-2-5-16(17)19(22-14)26-10-4-9-25(11-12-26)13-18-23-20(27-24-18)15-7-8-15/h15H,2-13H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 368.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 133460446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).