(2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone

C22H19F3N2O3 — CID 52525586

IUPAC(2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1
InChIInChI=1S/C22H19F3N2O3/c23-15-3-1-2-14(10-15)19-12-20(30-26-19)22(29)27-8-6-13(7-9-27)21(28)17-11-16(24)4-5-18(17)25/h1-5,10-11,13,20H,6-9,12H2/t20-/m1/s1
InChIKeyRHUVUAVHMWSLAV-HXUWFJFHSA-N
MW416.40 g/mol
LogP3.72
Rot. Bonds4

About (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone

(2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone (PubChem CID 52525586) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone
PubChem CID52525586
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name(2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1
InChIInChI=1S/C22H19F3N2O3/c23-15-3-1-2-14(10-15)19-12-20(30-26-19)22(29)27-8-6-13(7-9-27)21(28)17-11-16(24)4-5-18(17)25/h1-5,10-11,13,20H,6-9,12H2/t20-/m1/s1
InChIKeyRHUVUAVHMWSLAV-HXUWFJFHSA-N
XLogP3.72
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Ethylpiperazino)[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methanone
CID 5308889
(4-Benzylpiperazin-1-yl)[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 5309483
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2,6-dimethylpiperidine
CID 3236925
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-2-methylpiperidine
CID 3238468
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}piperidine
CID 3241252
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](4-methylpiperidin-1-yl)methanone
CID 3235728
1-{[3-(4-Fluorophenyl)-4,5-dihydroisoxazol-5-yl]carbonyl}-4-methylpiperazine
CID 9550476
Phenyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134788212
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](morpholin-4-yl)methanone
CID 17095765
N,N-diethyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095773
[3-(2-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl](morpholin-4-yl)methanone
CID 17095811
N-cyclohexyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619785

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone (CID 52525586) is (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone is O=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1.
What is the InChIKey of (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone?
The InChIKey is RHUVUAVHMWSLAV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c23-15-3-1-2-14(10-15)19-12-20(30-26-19)22(29)27-8-6-13(7-9-27)21(28)17-11-16(24)4-5-18(17)25/h1-5,10-11,13,20H,6-9,12H2/t20-/m1/s1.
What are the key properties of (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone?
(2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone has a molecular weight of 416.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 52525586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).