N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine

C21H24ClN5O — CID 137345383

IUPACN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(C(CNc2nnc(Cc3ccncc3)o2)N2CCCCC2)cc1
InChIInChI=1S/C21H24ClN5O/c22-18-6-4-17(5-7-18)19(27-12-2-1-3-13-27)15-24-21-26-25-20(28-21)14-16-8-10-23-11-9-16/h4-11,19H,1-3,12-15H2,(H,24,26)
InChIKeyRVYXAHWSCNQFIC-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.35
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine

N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 137345383) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID137345383
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC NameN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(C(CNc2nnc(Cc3ccncc3)o2)N2CCCCC2)cc1
InChIInChI=1S/C21H24ClN5O/c22-18-6-4-17(5-7-18)19(27-12-2-1-3-13-27)15-24-21-26-25-20(28-21)14-16-8-10-23-11-9-16/h4-11,19H,1-3,12-15H2,(H,24,26)
InChIKeyRVYXAHWSCNQFIC-UHFFFAOYSA-N
XLogP4.35
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97209978
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97206560
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine
CID 72841489
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
5-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 34925081
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine
CID 150848803
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine
CID 71883513
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 137345383) is N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine is Clc1ccc(C(CNc2nnc(Cc3ccncc3)o2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RVYXAHWSCNQFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c22-18-6-4-17(5-7-18)19(27-12-2-1-3-13-27)15-24-21-26-25-20(28-21)14-16-8-10-23-11-9-16/h4-11,19H,1-3,12-15H2,(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 397.91 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137345383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).