N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine

C15H19ClN4O — CID 110456525

IUPACN-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(CCNc2nnc(C3CCCNC3)o2)cc1
InChIInChI=1S/C15H19ClN4O/c16-13-5-3-11(4-6-13)7-9-18-15-20-19-14(21-15)12-2-1-8-17-10-12/h3-6,12,17H,1-2,7-10H2,(H,18,20)
InChIKeyHTLJPXDCOZKBCV-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine

N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 110456525) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID110456525
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(CCNc2nnc(C3CCCNC3)o2)cc1
InChIInChI=1S/C15H19ClN4O/c16-13-5-3-11(4-6-13)7-9-18-15-20-19-14(21-15)12-2-1-8-17-10-12/h3-6,12,17H,1-2,7-10H2,(H,18,20)
InChIKeyHTLJPXDCOZKBCV-UHFFFAOYSA-N
XLogP2.84
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole
CID 97357376
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456060
N-[2-(4-chlorophenyl)ethyl]-5-(3-chloropropyl)-1,3,4-oxadiazol-2-amine
CID 110456522
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 134085508
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
5-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 72855666
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 165351237
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 82668755

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine (CID 110456525) is N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine is Clc1ccc(CCNc2nnc(C3CCCNC3)o2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is HTLJPXDCOZKBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c16-13-5-3-11(4-6-13)7-9-18-15-20-19-14(21-15)12-2-1-8-17-10-12/h3-6,12,17H,1-2,7-10H2,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine?
N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 306.80 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).