3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole

C18H22N6O2 — CID 74240465

IUPAC3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCC(c3ncon3)CC2)cc1Cn1cncn1
InChIInChI=1S/C18H22N6O2/c1-25-17-3-2-14(8-16(17)10-24-12-19-11-21-24)9-23-6-4-15(5-7-23)18-20-13-26-22-18/h2-3,8,11-13,15H,4-7,9-10H2,1H3
InChIKeyDAHOUJVVFWSRJC-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.10
Rot. Bonds6

About 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole

3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 74240465) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID74240465
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCC(c3ncon3)CC2)cc1Cn1cncn1
InChIInChI=1S/C18H22N6O2/c1-25-17-3-2-14(8-16(17)10-24-12-19-11-21-24)9-23-6-4-15(5-7-23)18-20-13-26-22-18/h2-3,8,11-13,15H,4-7,9-10H2,1H3
InChIKeyDAHOUJVVFWSRJC-UHFFFAOYSA-N
XLogP2.10
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-piperidin-4-ylpiperidine
CID 146040890
7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 56887902
[2-methoxy-5-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
CID 65338671
3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 77087033
3-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]propan-1-amine
CID 170867990
[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 131952432
1-[5-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91793001
N-(furan-3-ylmethyl)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-N-methylmethanamine
CID 91796661
[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-(oxan-4-yl)methanone
CID 138384120
[(3S)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25450432
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
CID 77097117

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole (CID 74240465) is 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole is COc1ccc(CN2CCC(c3ncon3)CC2)cc1Cn1cncn1.
What is the InChIKey of 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is DAHOUJVVFWSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-25-17-3-2-14(8-16(17)10-24-12-19-11-21-24)9-23-6-4-15(5-7-23)18-20-13-26-22-18/h2-3,8,11-13,15H,4-7,9-10H2,1H3.
What are the key properties of 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole?
3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 354.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 74240465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).