[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone

C19H22FN3O3 — CID 99930914

IUPAC[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
SMILESO=C([C@@H]1CCCCO1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C19H22FN3O3/c20-15-6-4-13(5-7-15)17-21-22-18(26-17)14-8-10-23(11-9-14)19(24)16-3-1-2-12-25-16/h4-7,14,16H,1-3,8-12H2/t16-/m0/s1
InChIKeyKPTZRSRDEQRXGW-INIZCTEOSA-N
MW359.40 g/mol
LogP3.15
Rot. Bonds3

About [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone

[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone (PubChem CID 99930914) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
PubChem CID99930914
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
SMILESO=C([C@@H]1CCCCO1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C19H22FN3O3/c20-15-6-4-13(5-7-15)17-21-22-18(26-17)14-8-10-23(11-9-14)19(24)16-3-1-2-12-25-16/h4-7,14,16H,1-3,8-12H2/t16-/m0/s1
InChIKeyKPTZRSRDEQRXGW-INIZCTEOSA-N
XLogP3.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 4605604
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53003963
[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 167976735
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
4-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382223
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
CID 71227279
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The IUPAC name of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone (CID 99930914) is [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone.
What is the SMILES notation for [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The canonical SMILES for [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone is O=C([C@@H]1CCCCO1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone?
The InChIKey is KPTZRSRDEQRXGW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-15-6-4-13(5-7-15)17-21-22-18(26-17)14-8-10-23(11-9-14)19(24)16-3-1-2-12-25-16/h4-7,14,16H,1-3,8-12H2/t16-/m0/s1.
What are the key properties of [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone?
[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone has a molecular weight of 359.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone is sourced from PubChem (CID 99930914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).