3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one

C20H25N5O2 — CID 95213262

IUPAC3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one
SMILESC[C@@H](Cn1cnc2ccccc2c1=O)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C20H25N5O2/c1-14(12-25-13-22-17-10-6-5-9-16(17)20(25)26)21-11-18-23-19(24-27-18)15-7-3-2-4-8-15/h5-6,9-10,13-15,21H,2-4,7-8,11-12H2,1H3/t14-/m0/s1
InChIKeyWAQIGLPCVFHEBL-AWEZNQCLSA-N
MW367.45 g/mol
LogP3.01
Rot. Bonds6

About 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one

3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one (PubChem CID 95213262) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one
PubChem CID95213262
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one
SMILESC[C@@H](Cn1cnc2ccccc2c1=O)NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C20H25N5O2/c1-14(12-25-13-22-17-10-6-5-9-16(17)20(25)26)21-11-18-23-19(24-27-18)15-7-3-2-4-8-15/h5-6,9-10,13-15,21H,2-4,7-8,11-12H2,1H3/t14-/m0/s1
InChIKeyWAQIGLPCVFHEBL-AWEZNQCLSA-N
XLogP3.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one with MolForge

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Related Compounds

3-[(2R)-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]propyl]quinazolin-4-one
CID 137148228
3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one
CID 104747287
3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one
CID 97454852
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 64982225
3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propyl]quinazolin-4-one
CID 131920058
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55892252
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 71875556
3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one
CID 56717154
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-5,6-dimethylpyrimidin-4-one
CID 126806195
2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
CID 95230535
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131909757

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one?
The IUPAC name of 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one (CID 95213262) is 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one?
The canonical SMILES for 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one is C[C@@H](Cn1cnc2ccccc2c1=O)NCc1nc(C2CCCCC2)no1.
What is the InChIKey of 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one?
The InChIKey is WAQIGLPCVFHEBL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(12-25-13-22-17-10-6-5-9-16(17)20(25)26)21-11-18-23-19(24-27-18)15-7-3-2-4-8-15/h5-6,9-10,13-15,21H,2-4,7-8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one?
3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one has a molecular weight of 367.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one is sourced from PubChem (CID 95213262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).