[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone

C18H18F2N4O2 — CID 154023625

IUPAC[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncco2)CC1)N1N=CC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2N4O2/c19-14-9-13(10-15(20)11-14)16-1-4-22-24(16)17(25)12-2-6-23(7-3-12)18-21-5-8-26-18/h4-5,8-12,16H,1-3,6-7H2/t16-/m0/s1
InChIKeyOHZXTQOVEIILLJ-INIZCTEOSA-N
MW360.36 g/mol
LogP3.13
Rot. Bonds3

About [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone

[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone (PubChem CID 154023625) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone
PubChem CID154023625
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncco2)CC1)N1N=CC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2N4O2/c19-14-9-13(10-15(20)11-14)16-1-4-22-24(16)17(25)12-2-6-23(7-3-12)18-21-5-8-26-18/h4-5,8-12,16H,1-3,6-7H2/t16-/m0/s1
InChIKeyOHZXTQOVEIILLJ-INIZCTEOSA-N
XLogP3.13
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide
CID 134521471
2-[4-[3-(3,5-Difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide
CID 134521473
2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile
CID 134524343
2-[4-[3-(3,5-Difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile
CID 134524344
2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 134536501
2-[4-[3-(3,5-Difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 134536504
2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 134536549
2-[4-[3-(3,5-Difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 135313711
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-[5-[(methylideneamino)methyl]-1,3-oxazol-2-yl]piperidin-4-yl]methanone
CID 146251438
2-[(3-Fluorophenyl)methyl]-6-(2-{[(1,3-oxazol-2-yl)amino]methyl}piperidin-1-yl)-2,3-dihydropyridazin-3-one
CID 126930954
2-(2,4-difluorophenyl)-N-[rel-(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)-4-piperidinyl]acetamide
CID 166615685
3-(2-Fluorobenzyl)-1-isobutyl-8-(1,3-oxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166619348

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone (CID 154023625) is [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ncco2)CC1)N1N=CC[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is OHZXTQOVEIILLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c19-14-9-13(10-15(20)11-14)16-1-4-22-24(16)17(25)12-2-6-23(7-3-12)18-21-5-8-26-18/h4-5,8-12,16H,1-3,6-7H2/t16-/m0/s1.
What are the key properties of [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone?
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 360.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 154023625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).