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

C17H19N5O2 — CID 71875556

IUPAC3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
SMILESCc1nc(C2CCCN2CCn2cnc3ccccc3c2=O)no1
InChIInChI=1S/C17H19N5O2/c1-12-19-16(20-24-12)15-7-4-8-21(15)9-10-22-11-18-14-6-3-2-5-13(14)17(22)23/h2-3,5-6,11,15H,4,7-10H2,1H3
InChIKeyWRWLASNXTUXKCA-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds4

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

3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one (PubChem CID 71875556) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
PubChem CID71875556
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
SMILESCc1nc(C2CCCN2CCn2cnc3ccccc3c2=O)no1
InChIInChI=1S/C17H19N5O2/c1-12-19-16(20-24-12)15-7-4-8-21(15)9-10-22-11-18-14-6-3-2-5-13(14)17(22)23/h2-3,5-6,11,15H,4,7-10H2,1H3
InChIKeyWRWLASNXTUXKCA-UHFFFAOYSA-N
XLogP1.93
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 95780007
3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 71934041
3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]quinazolin-4-one
CID 56722649
3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949766
N-[cyclopropyl(phenyl)methyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 75369068
3-[3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]quinazolin-4-one
CID 97454852
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868
3-propylquinazolin-4-one
CID 529124
5-methyl-3-[(2R)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96508274
3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 97117905
3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one
CID 95213262

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one (CID 71875556) is 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one is Cc1nc(C2CCCN2CCn2cnc3ccccc3c2=O)no1.
What is the InChIKey of 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is WRWLASNXTUXKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-19-16(20-24-12)15-7-4-8-21(15)9-10-22-11-18-14-6-3-2-5-13(14)17(22)23/h2-3,5-6,11,15H,4,7-10H2,1H3.
What are the key properties of 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one?
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 71875556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).