[(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C18H20F2N2O2 — CID 99807284

IUPAC[(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCC[C@@H]1C1CCC1
InChIInChI=1S/C18H20F2N2O2/c19-12-6-7-14(20)13(9-12)15-10-17(24-21-15)18(23)22-8-2-5-16(22)11-3-1-4-11/h6-7,9,11,16-17H,1-5,8,10H2/t16-,17-/m1/s1
InChIKeyFVHGPGIFERSPSU-IAGOWNOFSA-N
MW334.37 g/mol
LogP3.25
Rot. Bonds3

About [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

[(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 99807284) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID99807284
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name[(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCC[C@@H]1C1CCC1
InChIInChI=1S/C18H20F2N2O2/c19-12-6-7-14(20)13(9-12)15-10-17(24-21-15)18(23)22-8-2-5-16(22)11-3-1-4-11/h6-7,9,11,16-17H,1-5,8,10H2/t16-,17-/m1/s1
InChIKeyFVHGPGIFERSPSU-IAGOWNOFSA-N
XLogP3.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110026520
[(3R)-3-anilinopyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 99807281
(5R)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95623071
(2-ethylpiperidin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 20869140
[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 75416202
3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
CID 150037810
methyl (2R)-2-[[(5S)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-methylamino]propanoate
CID 100647747
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-chloro-2-hydroxyphenyl)methanone
CID 65321114
3-(2,5-difluorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 91642654
(5S)-N-[(3S)-3-cyanothiolan-3-yl]-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95317048
3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56788132
[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 42816767

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 99807284) is [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is O=C([C@H]1CC(c2cc(F)ccc2F)=NO1)N1CCC[C@@H]1C1CCC1.
What is the InChIKey of [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is FVHGPGIFERSPSU-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-12-6-7-14(20)13(9-12)15-10-17(24-21-15)18(23)22-8-2-5-16(22)11-3-1-4-11/h6-7,9,11,16-17H,1-5,8,10H2/t16-,17-/m1/s1.
What are the key properties of [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
[(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 334.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 99807284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).