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

C23H28N4O2 — CID 126949935

IUPAC3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1noc(C)c1CN1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C23H28N4O2/c1-15-19(16(2)29-25-15)14-26-13-7-12-21(26)22-24-20-11-6-5-10-18(20)23(28)27(22)17-8-3-4-9-17/h5-6,10-11,17,21H,3-4,7-9,12-14H2,1-2H3
InChIKeyCNEFTHYMWSUTIM-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.45
Rot. Bonds4

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

3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949935) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949935
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1noc(C)c1CN1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1
InChIInChI=1S/C23H28N4O2/c1-15-19(16(2)29-25-15)14-26-13-7-12-21(26)22-24-20-11-6-5-10-18(20)23(28)27(22)17-8-3-4-9-17/h5-6,10-11,17,21H,3-4,7-9,12-14H2,1-2H3
InChIKeyCNEFTHYMWSUTIM-UHFFFAOYSA-N
XLogP4.45
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one with MolForge

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949357
3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949969
3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950022
3-cyclopentyl-2-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949944
3-cyclopentyl-2-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949991
3-cyclopentyl-2-[1-(pyridazin-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949994
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-(triazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949965
3-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 18203552
3-cyclopentyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950018
3-cyclopentyl-2-[1-(5-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950043

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949935) is 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is Cc1noc(C)c1CN1CCCC1c1nc2ccccc2c(=O)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is CNEFTHYMWSUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-19(16(2)29-25-15)14-26-13-7-12-21(26)22-24-20-11-6-5-10-18(20)23(28)27(22)17-8-3-4-9-17/h5-6,10-11,17,21H,3-4,7-9,12-14H2,1-2H3.
What are the key properties of 3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 392.50 g/mol, XLogP of 4.45, 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).