2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one

C15H15N5O2 — CID 137209566

IUPAC2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN2Cc2cnon2)nc2ccccc12
InChIInChI=1S/C15H15N5O2/c21-15-11-4-1-2-5-12(11)17-14(18-15)13-6-3-7-20(13)9-10-8-16-22-19-10/h1-2,4-5,8,13H,3,6-7,9H2,(H,17,18,21)
InChIKeyGCOLSRTWFLMMCY-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.64
Rot. Bonds3

About 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one

2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one (PubChem CID 137209566) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
PubChem CID137209566
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN2Cc2cnon2)nc2ccccc12
InChIInChI=1S/C15H15N5O2/c21-15-11-4-1-2-5-12(11)17-14(18-15)13-6-3-7-20(13)9-10-8-16-22-19-10/h1-2,4-5,8,13H,3,6-7,9H2,(H,17,18,21)
InChIKeyGCOLSRTWFLMMCY-UHFFFAOYSA-N
XLogP1.64
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209529
2-[1-[(2-methoxypyrimidin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209551
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209522
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209523
2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209538
4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 137209624
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209673
2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135767703
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450
2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209654

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one (CID 137209566) is 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2CCCN2Cc2cnon2)nc2ccccc12.
What is the InChIKey of 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The InChIKey is GCOLSRTWFLMMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-15-11-4-1-2-5-12(11)17-14(18-15)13-6-3-7-20(13)9-10-8-16-22-19-10/h1-2,4-5,8,13H,3,6-7,9H2,(H,17,18,21).
What are the key properties of 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one has a molecular weight of 297.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137209566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).