[(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone

C19H22F2N2O3 — CID 95218325

IUPAC[(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESCCCC[C@H]1CCCN1C(=O)c1coc(COc2cccc(F)c2F)n1
InChIInChI=1S/C19H22F2N2O3/c1-2-3-6-13-7-5-10-23(13)19(24)15-11-26-17(22-15)12-25-16-9-4-8-14(20)18(16)21/h4,8-9,11,13H,2-3,5-7,10,12H2,1H3/t13-/m0/s1
InChIKeyKPNDASACZWXXFR-ZDUSSCGKSA-N
MW364.39 g/mol
LogP4.33
Rot. Bonds7

About [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone

[(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 95218325) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
PubChem CID95218325
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name[(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESCCCC[C@H]1CCCN1C(=O)c1coc(COc2cccc(F)c2F)n1
InChIInChI=1S/C19H22F2N2O3/c1-2-3-6-13-7-5-10-23(13)19(24)15-11-26-17(22-15)12-25-16-9-4-8-14(20)18(16)21/h4,8-9,11,13H,2-3,5-7,10,12H2,1H3/t13-/m0/s1
InChIKeyKPNDASACZWXXFR-ZDUSSCGKSA-N
XLogP4.33
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

2-[(2,3-difluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45229428
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 42300285
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45239467
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 25454862
2-[(2-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 45252945
2-[(2,3-difluorophenoxy)methyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56702436
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 136776053
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
2-(2-butylpyrrolidine-1-carbonyl)benzonitrile
CID 91784458

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone (CID 95218325) is [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone is CCCC[C@H]1CCCN1C(=O)c1coc(COc2cccc(F)c2F)n1.
What is the InChIKey of [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is KPNDASACZWXXFR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-2-3-6-13-7-5-10-23(13)19(24)15-11-26-17(22-15)12-25-16-9-4-8-14(20)18(16)21/h4,8-9,11,13H,2-3,5-7,10,12H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone?
[(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 364.39 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-butylpyrrolidin-1-yl]-[2-[(2,3-difluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 95218325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).