(3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone

C17H17F2N5O2 — CID 69324820

IUPAC(3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(N2C=C(c3ccn[nH]3)ON2)C1
InChIInChI=1S/C17H17F2N5O2/c18-13-4-3-11(8-14(13)19)17(25)23-7-1-2-12(9-23)24-10-16(26-22-24)15-5-6-20-21-15/h3-6,8,10,12,22H,1-2,7,9H2,(H,20,21)
InChIKeyJRFLMQKKRPAFSO-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.04
Rot. Bonds3

About (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone

(3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 69324820) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID69324820
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name(3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(N2C=C(c3ccn[nH]3)ON2)C1
InChIInChI=1S/C17H17F2N5O2/c18-13-4-3-11(8-14(13)19)17(25)23-7-1-2-12(9-23)24-10-16(26-22-24)15-5-6-20-21-15/h3-6,8,10,12,22H,1-2,7,9H2,(H,20,21)
InChIKeyJRFLMQKKRPAFSO-UHFFFAOYSA-N
XLogP2.04
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-fluoro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995073
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 3221281
4-[[4-fluoro-3-[4-(1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydro-4H-phthalazin-1-one
CID 124221356
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 3153670
5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 50976064
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 56787136
1H-pyrazol-5-yl-[4-(2,2,2-trifluoro-1-phenylethyl)piperazin-1-yl]methanone
CID 56789027
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 56876167
N-[2-(2-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-4-(1H-pyrazol-3-yl)benzamide
CID 72867206
(2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 118739825
4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 118741468

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 69324820) is (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCCC(N2C=C(c3ccn[nH]3)ON2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is JRFLMQKKRPAFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c18-13-4-3-11(8-14(13)19)17(25)23-7-1-2-12(9-23)24-10-16(26-22-24)15-5-6-20-21-15/h3-6,8,10,12,22H,1-2,7,9H2,(H,20,21).
What are the key properties of (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 361.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-[5-(1H-pyrazol-5-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 69324820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).