2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone

C15H17N3O2 — CID 141175304

IUPAC2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(c2nc(-c3ccccc3)co2)C1
InChIInChI=1S/C15H17N3O2/c16-8-14(19)18-7-6-12(9-18)15-17-13(10-20-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9,16H2
InChIKeyYPQQYKPJTMLBFA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone

2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 141175304) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID141175304
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(c2nc(-c3ccccc3)co2)C1
InChIInChI=1S/C15H17N3O2/c16-8-14(19)18-7-6-12(9-18)15-17-13(10-20-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9,16H2
InChIKeyYPQQYKPJTMLBFA-UHFFFAOYSA-N
XLogP1.62
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 51137734
2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 119314824
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
N-(4-phenyl-1,3-oxazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 132972292
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
4-[4-(chloromethyl)-1,3-oxazol-2-yl]piperidine-1-carboxylic acid
CID 123589448
2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049654
2-(2-methylbenzimidazol-1-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128988223
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone (CID 141175304) is 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone is NCC(=O)N1CCC(c2nc(-c3ccccc3)co2)C1.
What is the InChIKey of 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is YPQQYKPJTMLBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-8-14(19)18-7-6-12(9-18)15-17-13(10-20-15)11-4-2-1-3-5-11/h1-5,10,12H,6-9,16H2.
What are the key properties of 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone?
2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 141175304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).