2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole

C14H21N5O — CID 72871457

IUPAC2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole
SMILESCc1nnc(N2CCC(CCn3ccnc3C)CC2)o1
InChIInChI=1S/C14H21N5O/c1-11-15-6-10-18(11)7-3-13-4-8-19(9-5-13)14-17-16-12(2)20-14/h6,10,13H,3-5,7-9H2,1-2H3
InChIKeyXEBATFNXPTUVCY-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole

2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole (PubChem CID 72871457) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole
PubChem CID72871457
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole
SMILESCc1nnc(N2CCC(CCn3ccnc3C)CC2)o1
InChIInChI=1S/C14H21N5O/c1-11-15-6-10-18(11)7-3-13-4-8-19(9-5-13)14-17-16-12(2)20-14/h6,10,13H,3-5,7-9H2,1-2H3
InChIKeyXEBATFNXPTUVCY-UHFFFAOYSA-N
XLogP2.19
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-(2-imidazol-1-ylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53505813
methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
isopropyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70757583
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 72899496
4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}piperidine
CID 72914097
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 86769639
4-[(1-Methylimidazol-2-yl)methyl]-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739527
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2-methoxy-2-methylpropanoyl)piperidine
CID 72837672
1-[(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)carbonyl]cyclopropanamine
CID 72851669
[3-(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-3-oxopropyl]amine dihydrochloride
CID 72893405
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 42517825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole (CID 72871457) is 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole is Cc1nnc(N2CCC(CCn3ccnc3C)CC2)o1.
What is the InChIKey of 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is XEBATFNXPTUVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-15-6-10-18(11)7-3-13-4-8-19(9-5-13)14-17-16-12(2)20-14/h6,10,13H,3-5,7-9H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole?
2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 72871457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).