3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one

C15H14N4O3 — CID 97443977

IUPAC3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one
SMILESCn1cnc2cc(-c3nc([C@@H]4CCOC4)no3)ccc2c1=O
InChIInChI=1S/C15H14N4O3/c1-19-8-16-12-6-9(2-3-11(12)15(19)20)14-17-13(18-22-14)10-4-5-21-7-10/h2-3,6,8,10H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyFGPHITRLGSAHEB-SNVBAGLBSA-N
MW298.30 g/mol
LogP1.49
Rot. Bonds2

About 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one

3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one (PubChem CID 97443977) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one
PubChem CID97443977
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one
SMILESCn1cnc2cc(-c3nc([C@@H]4CCOC4)no3)ccc2c1=O
InChIInChI=1S/C15H14N4O3/c1-19-8-16-12-6-9(2-3-11(12)15(19)20)14-17-13(18-22-14)10-4-5-21-7-10/h2-3,6,8,10H,4-5,7H2,1H3/t10-/m1/s1
InChIKeyFGPHITRLGSAHEB-SNVBAGLBSA-N
XLogP1.49
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one with MolForge

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Related Compounds

3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72897701
5-(2-methyl-1,3-benzothiazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97444499
3-[(3S)-oxolan-3-yl]-5-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 97437113
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437627
N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97456824
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72925037
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one (CID 97443977) is 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one is Cn1cnc2cc(-c3nc([C@@H]4CCOC4)no3)ccc2c1=O.
What is the InChIKey of 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one?
The InChIKey is FGPHITRLGSAHEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-19-8-16-12-6-9(2-3-11(12)15(19)20)14-17-13(18-22-14)10-4-5-21-7-10/h2-3,6,8,10H,4-5,7H2,1H3/t10-/m1/s1.
What are the key properties of 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one?
3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one has a molecular weight of 298.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 97443977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).