(5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one

C17H18F2N4O3 — CID 164643398

IUPAC(5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(c3noc(C(F)F)n3)CC2)n2cccc21
InChIInChI=1S/C17H18F2N4O3/c18-14(19)16-20-15(21-26-16)10-5-8-22(9-6-10)17(25)12-3-4-13(24)11-2-1-7-23(11)12/h1-2,7,10,12,14H,3-6,8-9H2/t12-/m0/s1
InChIKeyVQVZDGNGQOZXRR-LBPRGKRZSA-N
MW364.35 g/mol
LogP2.73
Rot. Bonds3

About (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one

(5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one (PubChem CID 164643398) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name(5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one
PubChem CID164643398
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name(5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(c3noc(C(F)F)n3)CC2)n2cccc21
InChIInChI=1S/C17H18F2N4O3/c18-14(19)16-20-15(21-26-16)10-5-8-22(9-6-10)17(25)12-3-4-13(24)11-2-1-7-23(11)12/h1-2,7,10,12,14H,3-6,8-9H2/t12-/m0/s1
InChIKeyVQVZDGNGQOZXRR-LBPRGKRZSA-N
XLogP2.73
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
CID 130649646
2-methyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-3,4-dihydroisoquinolin-1-one
CID 126812858
(5S)-5-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 138035634
5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86812269
tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 11233605
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 126810773
tert-butyl 4-[(S)-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 139510091
[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94032209
[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91908029
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 104847279

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one (CID 164643398) is (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one is O=C1CC[C@@H](C(=O)N2CCC(c3noc(C(F)F)n3)CC2)n2cccc21.
What is the InChIKey of (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is VQVZDGNGQOZXRR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c18-14(19)16-20-15(21-26-16)10-5-8-22(9-6-10)17(25)12-3-4-13(24)11-2-1-7-23(11)12/h1-2,7,10,12,14H,3-6,8-9H2/t12-/m0/s1.
What are the key properties of (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one?
(5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 364.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 164643398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).