2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one

C17H18N4O2S — CID 60564006

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(SCc2noc(C3CC3)n2)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O2S/c1-10(2)21-16(22)12-5-3-4-6-13(12)18-17(21)24-9-14-19-15(23-20-14)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3
InChIKeyNRZCEAZPYMNMQC-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.53
Rot. Bonds5

About 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one (PubChem CID 60564006) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one
PubChem CID60564006
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(SCc2noc(C3CC3)n2)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O2S/c1-10(2)21-16(22)12-5-3-4-6-13(12)18-17(21)24-9-14-19-15(23-20-14)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3
InChIKeyNRZCEAZPYMNMQC-UHFFFAOYSA-N
XLogP3.53
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one with MolForge

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Related Compounds

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(2,3-dimethylcyclohexyl)quinazolin-4-one
CID 60564818
3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 60564067
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 8532621
3-cyclopentyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 55997776
2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 8849026
2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 46658488
N-(dicyclopropylmethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 31191233
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-[(1S)-1-phenylethyl]quinazolin-4-one
CID 8951967
2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one
CID 10086293
3-propan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 8807295
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 51223118
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500834

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one (CID 60564006) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one is CC(C)n1c(SCc2noc(C3CC3)n2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is NRZCEAZPYMNMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10(2)21-16(22)12-5-3-4-6-13(12)18-17(21)24-9-14-19-15(23-20-14)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 342.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 60564006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).