3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one

C20H24N4O2S — CID 42947997

IUPAC3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
SMILESCC(C)c1noc(C(C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1
InChIInChI=1S/C20H24N4O2S/c1-12(2)17-22-18(26-23-17)13(3)27-20-21-16-11-7-6-10-15(16)19(25)24(20)14-8-4-5-9-14/h6-7,10-14H,4-5,8-9H2,1-3H3
InChIKeyWUHAAIMSPZPVFE-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.87
Rot. Bonds5

About 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one

3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one (PubChem CID 42947997) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
PubChem CID42947997
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
SMILESCC(C)c1noc(C(C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1
InChIInChI=1S/C20H24N4O2S/c1-12(2)17-22-18(26-23-17)13(3)27-20-21-16-11-7-6-10-15(16)19(25)24(20)14-8-4-5-9-14/h6-7,10-14H,4-5,8-9H2,1-3H3
InChIKeyWUHAAIMSPZPVFE-UHFFFAOYSA-N
XLogP4.87
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one with MolForge

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Related Compounds

2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-3-cyclopentylquinazolin-4-one
CID 46634438
(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide
CID 52522994
(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 9320924
3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 55997776
(2R)-N-cyclohexyl-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 7988544
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 17430885
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
CID 154830982
3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one (CID 42947997) is 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one is CC(C)c1noc(C(C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1.
What is the InChIKey of 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The InChIKey is WUHAAIMSPZPVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12(2)17-22-18(26-23-17)13(3)27-20-21-16-11-7-6-10-15(16)19(25)24(20)14-8-4-5-9-14/h6-7,10-14H,4-5,8-9H2,1-3H3.
What are the key properties of 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one?
3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one has a molecular weight of 384.51 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 42947997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).