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

C17H18N4O3 — CID 97454852

IUPAC3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCc1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C17H18N4O3/c22-17-13-4-1-2-5-14(13)18-11-21(17)8-3-6-15-19-16(20-24-15)12-7-9-23-10-12/h1-2,4-5,11-12H,3,6-10H2/t12-/m1/s1
InChIKeyVZWDULATXAQVTH-GFCCVEGCSA-N
MW326.36 g/mol
LogP1.92
Rot. Bonds5

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

3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one (PubChem CID 97454852) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one
PubChem CID97454852
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCc1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C17H18N4O3/c22-17-13-4-1-2-5-14(13)18-11-21(17)8-3-6-15-19-16(20-24-15)12-7-9-23-10-12/h1-2,4-5,11-12H,3,6-10H2/t12-/m1/s1
InChIKeyVZWDULATXAQVTH-GFCCVEGCSA-N
XLogP1.92
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 97437342
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
CID 72861593
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434091
3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
CID 56722649
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one
CID 72936245
3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one
CID 95213262
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
5-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 167877520
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 71875556
3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one
CID 97443977
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one (CID 97454852) is 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one is O=c1c2ccccc2ncn1CCCc1nc([C@@H]2CCOC2)no1.
What is the InChIKey of 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one?
The InChIKey is VZWDULATXAQVTH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-17-13-4-1-2-5-14(13)18-11-21(17)8-3-6-15-19-16(20-24-15)12-7-9-23-10-12/h1-2,4-5,11-12H,3,6-10H2/t12-/m1/s1.
What are the key properties of 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one?
3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one has a molecular weight of 326.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 97454852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).