[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

C18H21N5O2 — CID 155523831

IUPAC[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1nnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)o1
InChIInChI=1S/C18H21N5O2/c1-13-20-21-18(25-13)22-11-8-15(9-12-22)17(24)23-16(7-10-19-23)14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3/t16-/m0/s1
InChIKeySZIHZEVKJULTQU-INIZCTEOSA-N
MW339.40 g/mol
LogP2.55
Rot. Bonds3

About [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 155523831) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID155523831
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1nnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)o1
InChIInChI=1S/C18H21N5O2/c1-13-20-21-18(25-13)22-11-8-15(9-12-22)17(24)23-16(7-10-19-23)14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3/t16-/m0/s1
InChIKeySZIHZEVKJULTQU-INIZCTEOSA-N
XLogP2.55
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 134521520
[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
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4-(5-Ethyl-1,3,4-oxadiazol-2-YL)-1-(2-phenylethyl)piperazin-2-one
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1-(3,4-difluorobenzyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
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(4-Benzylpiperidin-1-yl)-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 172447875
(3-Fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110419319
N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]benzamide
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(3S)-N-benzyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidine-3-carboxamide
CID 164633054
N-[(3R,4S)-3-benzyl-1-methylpiperidin-4-yl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 164639420
[3-(3,5-Difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 134521521
[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 146430527
[(3R)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[(3R,4S)-3-fluoro-1-(1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 149453057

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 155523831) is [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is Cc1nnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)o1.
What is the InChIKey of [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is SZIHZEVKJULTQU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-20-21-18(25-13)22-11-8-15(9-12-22)17(24)23-16(7-10-19-23)14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 155523831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).