phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C17H20N2O2 — CID 95052006

IUPACphenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc([C@H]2CCCN2C(=O)c2ccccc2)on1
InChIInChI=1S/C17H20N2O2/c1-12(2)14-11-16(21-18-14)15-9-6-10-19(15)17(20)13-7-4-3-5-8-13/h3-5,7-8,11-12,15H,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyQMSSETWYBXMGDJ-OAHLLOKOSA-N
MW284.36 g/mol
LogP3.78
Rot. Bonds3

About phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 95052006) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID95052006
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namephenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc([C@H]2CCCN2C(=O)c2ccccc2)on1
InChIInChI=1S/C17H20N2O2/c1-12(2)14-11-16(21-18-14)15-9-6-10-19(15)17(20)13-7-4-3-5-8-13/h3-5,7-8,11-12,15H,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyQMSSETWYBXMGDJ-OAHLLOKOSA-N
XLogP3.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 92877733
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044050
(1-methylpyrazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044057
2-(2-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809306
2-(2-fluorophenyl)-1-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92893784
(2R)-N-(2-ethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079965
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079955
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809265
N-(4-chlorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001411
(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012
methyl 4-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95079988
(2R)-N-(3-methylbutyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070474

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 95052006) is phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc([C@H]2CCCN2C(=O)c2ccccc2)on1.
What is the InChIKey of phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QMSSETWYBXMGDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)14-11-16(21-18-14)15-9-6-10-19(15)17(20)13-7-4-3-5-8-13/h3-5,7-8,11-12,15H,6,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95052006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).