5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

C14H15F2N5O3 — CID 166268595

IUPAC5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(c1ccn(C2CC2(F)F)n1)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C14H15F2N5O3/c15-14(16)6-10(14)21-5-3-9(19-21)12(22)20-4-1-2-8(7-20)11-17-18-13(23)24-11/h3,5,8,10H,1-2,4,6-7H2,(H,18,23)
InChIKeyFJCQKORUIHOHGR-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.16
Rot. Bonds3

About 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 166268595) has the molecular formula C14H15F2N5O3 and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID166268595
Molecular FormulaC14H15F2N5O3
Molecular Weight339.30 g/mol
Exact Mass339.11
IUPAC Name5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=C(c1ccn(C2CC2(F)F)n1)N1CCCC(c2n[nH]c(=O)o2)C1
InChIInChI=1S/C14H15F2N5O3/c15-14(16)6-10(14)21-5-3-9(19-21)12(22)20-4-1-2-8(7-20)11-17-18-13(23)24-11/h3,5,8,10H,1-2,4,6-7H2,(H,18,23)
InChIKeyFJCQKORUIHOHGR-UHFFFAOYSA-N
XLogP1.16
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 136545040
5-[1-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 166244495
5-(1-prop-2-enoylpiperidin-3-yl)-3H-1,3,4-oxadiazol-2-one
CID 126831695
5-[1-[2-(2,4-dichlorophenyl)acetyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 132971968
5-[1-[4-(3,4-dimethylphenyl)oxane-4-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 138058226
[(3S)-3-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824421
2-methyl-6-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 95985593
(3S)-N-(5-methyl-2-phenoxyphenyl)-3-(2-oxo-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124741843
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
tert-butyl (3R)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 100651003
N-cyclopentyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 110268886
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid
CID 114621655

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 166268595) is 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=C(c1ccn(C2CC2(F)F)n1)N1CCCC(c2n[nH]c(=O)o2)C1.
What is the InChIKey of 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is FJCQKORUIHOHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O3/c15-14(16)6-10(14)21-5-3-9(19-21)12(22)20-4-1-2-8(7-20)11-17-18-13(23)24-11/h3,5,8,10H,1-2,4,6-7H2,(H,18,23).
What are the key properties of 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 339.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(2,2-difluorocyclopropyl)pyrazole-3-carbonyl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 166268595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).