2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide

C19H20F2N4O4 — CID 154697985

IUPAC2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(C(=O)N3OCC[C@H]3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C19H20F2N4O4/c20-13-7-12(8-14(21)9-13)15-3-6-28-25(15)18(27)11-1-4-24(5-2-11)19-23-10-16(29-19)17(22)26/h7-11,15H,1-6H2,(H2,22,26)/t15-/m0/s1
InChIKeyFLSPFIJQGIRTGS-HNNXBMFYSA-N
MW406.39 g/mol
LogP2.17
Rot. Bonds4

About 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide

2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide (PubChem CID 154697985) has the molecular formula C19H20F2N4O4 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
PubChem CID154697985
Molecular FormulaC19H20F2N4O4
Molecular Weight406.39 g/mol
Exact Mass406.15
IUPAC Name2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(C(=O)N3OCC[C@H]3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C19H20F2N4O4/c20-13-7-12(8-14(21)9-13)15-3-6-28-25(15)18(27)11-1-4-24(5-2-11)19-23-10-16(29-19)17(22)26/h7-11,15H,1-6H2,(H2,22,26)/t15-/m0/s1
InChIKeyFLSPFIJQGIRTGS-HNNXBMFYSA-N
XLogP2.17
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 151520551
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone
CID 155250733
3-[2-(cyclohexanecarbonyl)-1,2-oxazolidin-3-yl]-5-fluorobenzonitrile
CID 172582946
3-fluoro-5-[(3S)-2-[1-(5-fluoro-6-methoxypyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170957536
3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170776244
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
6-[(3S,4R)-4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
CID 142613664
3-[(3S)-2-[4-(aminomethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]-5-fluorobenzonitrile;hydrochloride
CID 172582814
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 155250730
ethane;methyl 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylate
CID 142352275
6-[4-[3-[5-(hydroxymethyl)-3-pyridinyl]-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376351
5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376503

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide (CID 154697985) is 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide is NC(=O)c1cnc(N2CCC(C(=O)N3OCC[C@H]3c3cc(F)cc(F)c3)CC2)o1.
What is the InChIKey of 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is FLSPFIJQGIRTGS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20F2N4O4/c20-13-7-12(8-14(21)9-13)15-3-6-28-25(15)18(27)11-1-4-24(5-2-11)19-23-10-16(29-19)17(22)26/h7-11,15H,1-6H2,(H2,22,26)/t15-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide?
2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 154697985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).