[(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C16H16ClFN2O2 — CID 94107264

IUPAC[(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)on1
InChIInChI=1S/C16H16ClFN2O2/c1-10-8-15(22-19-10)16(21)20-7-3-4-11(20)9-12-13(17)5-2-6-14(12)18/h2,5-6,8,11H,3-4,7,9H2,1H3/t11-/m0/s1
InChIKeyPOGDPLDANMGIBO-NSHDSACASA-N
MW322.77 g/mol
LogP3.62
Rot. Bonds3

About [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 94107264) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID94107264
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name[(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)on1
InChIInChI=1S/C16H16ClFN2O2/c1-10-8-15(22-19-10)16(21)20-7-3-4-11(20)9-12-13(17)5-2-6-14(12)18/h2,5-6,8,11H,3-4,7,9H2,1H3/t11-/m0/s1
InChIKeyPOGDPLDANMGIBO-NSHDSACASA-N
XLogP3.62
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanone
CID 92877716
2-(2-chloro-6-fluorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61411008
(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866905
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-(2-chloro-6-fluorophenyl)acetate
CID 75493926
1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 51077333
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 94106652
[2-(4-chloro-1-methylpyrazol-3-yl)azepan-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110214471
(3-methyl-1,2-oxazol-5-yl)-[2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 56686247
[3-[[2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751189
(2-chloro-6-fluorophenyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366289
(3-chloropiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63392780
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 25252634

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 94107264) is [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)on1.
What is the InChIKey of [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is POGDPLDANMGIBO-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-10-8-15(22-19-10)16(21)20-7-3-4-11(20)9-12-13(17)5-2-6-14(12)18/h2,5-6,8,11H,3-4,7,9H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 322.77 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 94107264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).