[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

C17H17ClN2O2 — CID 51612979

IUPAC[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c18-13-5-2-1-4-12(13)15-6-3-9-20(15)17(21)14-10-16(22-19-14)11-7-8-11/h1-2,4-5,10-11,15H,3,6-9H2/t15-/m0/s1
InChIKeyQOBBEEMNKKWFFH-HNNXBMFYSA-N
MW316.79 g/mol
LogP4.18
Rot. Bonds3

About [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 51612979) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID51612979
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c18-13-5-2-1-4-12(13)15-6-3-9-20(15)17(21)14-10-16(22-19-14)11-7-8-11/h1-2,4-5,10-11,15H,3,6-9H2/t15-/m0/s1
InChIKeyQOBBEEMNKKWFFH-HNNXBMFYSA-N
XLogP4.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51694751
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 95053533
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685159
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119048460
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124860819
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 51612979) is [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCC[C@H]1c1ccccc1Cl.
What is the InChIKey of [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is QOBBEEMNKKWFFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-13-5-2-1-4-12(13)15-6-3-9-20(15)17(21)14-10-16(22-19-14)11-7-8-11/h1-2,4-5,10-11,15H,3,6-9H2/t15-/m0/s1.
What are the key properties of [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 316.79 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 51612979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).