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3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one

C20H22N4O4 — CID 126951110

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2cc(C)on2)nc2ccccc2c1=O
InChIInChI=1S/C20H22N4O4/c1-13-12-16(22-28-13)20(26)23-9-5-8-17(23)18-21-15-7-4-3-6-14(15)19(25)24(18)10-11-27-2/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyPWIYTACYDISASI-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.32
Rot. Bonds5

About 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951110) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951110
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2C(=O)c2cc(C)on2)nc2ccccc2c1=O
InChIInChI=1S/C20H22N4O4/c1-13-12-16(22-28-13)20(26)23-9-5-8-17(23)18-21-15-7-4-3-6-14(15)19(25)24(18)10-11-27-2/h3-4,6-7,12,17H,5,8-11H2,1-2H3
InChIKeyPWIYTACYDISASI-UHFFFAOYSA-N
XLogP2.32
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951110) is 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2C(=O)c2cc(C)on2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is PWIYTACYDISASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-12-16(22-28-13)20(26)23-9-5-8-17(23)18-21-15-7-4-3-6-14(15)19(25)24(18)10-11-27-2/h3-4,6-7,12,17H,5,8-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 382.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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