2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole

C15H19N3O — CID 39359301

IUPAC2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESCCc1ccc(-c2nnc(C3CCNCC3)o2)cc1
InChIInChI=1S/C15H19N3O/c1-2-11-3-5-12(6-4-11)14-17-18-15(19-14)13-7-9-16-10-8-13/h3-6,13,16H,2,7-10H2,1H3
InChIKeyGEPKCAGRYOMHRK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole

2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole (PubChem CID 39359301) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
PubChem CID39359301
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESCCc1ccc(-c2nnc(C3CCNCC3)o2)cc1
InChIInChI=1S/C15H19N3O/c1-2-11-3-5-12(6-4-11)14-17-18-15(19-14)13-7-9-16-10-8-13/h3-6,13,16H,2,7-10H2,1H3
InChIKeyGEPKCAGRYOMHRK-UHFFFAOYSA-N
XLogP2.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308679
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 90043662
methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 22077371
2-(3-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308678
2-[(4-methylphenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride
CID 22694265
5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 90273387
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
CID 3692244
5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
CID 18073044
[2-amino-7-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 162146093
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole (CID 39359301) is 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole is CCc1ccc(-c2nnc(C3CCNCC3)o2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
The InChIKey is GEPKCAGRYOMHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-11-3-5-12(6-4-11)14-17-18-15(19-14)13-7-9-16-10-8-13/h3-6,13,16H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole?
2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 39359301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).