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

C21H24N4O2 — CID 126950022

IUPAC3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2Cc2ccno2)n1C1CCCC1
InChIInChI=1S/C21H24N4O2/c26-21-17-8-3-4-9-18(17)23-20(25(21)15-6-1-2-7-15)19-10-5-13-24(19)14-16-11-12-22-27-16/h3-4,8-9,11-12,15,19H,1-2,5-7,10,13-14H2
InChIKeyHKHSVXMGQDAYCM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.84
Rot. Bonds4

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

3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126950022) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126950022
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2Cc2ccno2)n1C1CCCC1
InChIInChI=1S/C21H24N4O2/c26-21-17-8-3-4-9-18(17)23-20(25(21)15-6-1-2-7-15)19-10-5-13-24(19)14-16-11-12-22-27-16/h3-4,8-9,11-12,15,19H,1-2,5-7,10,13-14H2
InChIKeyHKHSVXMGQDAYCM-UHFFFAOYSA-N
XLogP3.84
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949994
3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949969
3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949935
3-cyclopentyl-2-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949991
3-cyclopentyl-2-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949944
3-cyclopentyl-2-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949965
3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949943
3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949996
3-cyclopentyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950018
3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
CID 126949917
3-cyclopentyl-2-[1-(5-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950043
3-(cyclopropylmethyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949720

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126950022) is 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2Cc2ccno2)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is HKHSVXMGQDAYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-21-17-8-3-4-9-18(17)23-20(25(21)15-6-1-2-7-15)19-10-5-13-24(19)14-16-11-12-22-27-16/h3-4,8-9,11-12,15,19H,1-2,5-7,10,13-14H2.
What are the key properties of 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126950022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).