3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one

C20H22N4O3 — CID 97117905

IUPAC3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
SMILESCC(C)c1cc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc3c2=O)no1
InChIInChI=1S/C20H22N4O3/c1-13(2)18-10-16(22-27-18)17-8-5-9-24(17)19(25)11-23-12-21-15-7-4-3-6-14(15)20(23)26/h3-4,6-7,10,12-13,17H,5,8-9,11H2,1-2H3/t17-/m0/s1
InChIKeyBJPQWSINDCPCHG-KRWDZBQOSA-N
MW366.42 g/mol
LogP2.87
Rot. Bonds4

About 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one

3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one (PubChem CID 97117905) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
PubChem CID97117905
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
SMILESCC(C)c1cc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc3c2=O)no1
InChIInChI=1S/C20H22N4O3/c1-13(2)18-10-16(22-27-18)17-8-5-9-24(17)19(25)11-23-12-21-15-7-4-3-6-14(15)20(23)26/h3-4,6-7,10,12-13,17H,5,8-9,11H2,1-2H3/t17-/m0/s1
InChIKeyBJPQWSINDCPCHG-KRWDZBQOSA-N
XLogP2.87
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]isoquinolin-1-one
CID 97276536
3-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 118786758
3-methoxy-1-[2-oxo-2-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 97278881
2-(2-phenylimidazol-1-yl)-1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 72905209
2-methyl-1-[2-oxo-2-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinolin-4-one
CID 72902416
3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 41112764
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 91782819
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95051971
3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]quinazolin-4-one
CID 97150651
3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 157013903
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one (CID 97117905) is 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one is CC(C)c1cc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc3c2=O)no1.
What is the InChIKey of 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one?
The InChIKey is BJPQWSINDCPCHG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(2)18-10-16(22-27-18)17-8-5-9-24(17)19(25)11-23-12-21-15-7-4-3-6-14(15)20(23)26/h3-4,6-7,10,12-13,17H,5,8-9,11H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one?
3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one has a molecular weight of 366.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one is sourced from PubChem (CID 97117905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).