(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone

C17H20N2O2 — CID 92736228

IUPAC(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)no1
InChIInChI=1S/C17H20N2O2/c1-3-14-11-15(18-21-14)17(20)19-10-4-5-16(19)13-8-6-12(2)7-9-13/h6-9,11,16H,3-5,10H2,1-2H3/t16-/m0/s1
InChIKeyZXXWGQSIMMAMSY-INIZCTEOSA-N
MW284.36 g/mol
LogP3.52
Rot. Bonds3

About (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone

(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 92736228) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID92736228
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)no1
InChIInChI=1S/C17H20N2O2/c1-3-14-11-15(18-21-14)17(20)19-10-4-5-16(19)13-8-6-12(2)7-9-13/h6-9,11,16H,3-5,10H2,1-2H3/t16-/m0/s1
InChIKeyZXXWGQSIMMAMSY-INIZCTEOSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856579
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736234
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 95200907
(5-ethyl-1,2-oxazol-3-yl)-[(2R)-2-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136735047
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 92736228) is (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone is CCc1cc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)no1.
What is the InChIKey of (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZXXWGQSIMMAMSY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-14-11-15(18-21-14)17(20)19-10-4-5-16(19)13-8-6-12(2)7-9-13/h6-9,11,16H,3-5,10H2,1-2H3/t16-/m0/s1.
What are the key properties of (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92736228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).