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

C15H19ClN4O — CID 63644262

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCNC1
InChIInChI=1S/C15H19ClN4O/c1-20(13-3-2-8-17-9-13)10-14-18-19-15(21-14)11-4-6-12(16)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3
InChIKeyZQJJSAWVMSSNLH-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.57
Rot. Bonds4

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

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine (PubChem CID 63644262) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
PubChem CID63644262
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCNC1
InChIInChI=1S/C15H19ClN4O/c1-20(13-3-2-8-17-9-13)10-14-18-19-15(21-14)11-4-6-12(16)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3
InChIKeyZQJJSAWVMSSNLH-UHFFFAOYSA-N
XLogP2.57
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 63641803
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine
CID 63641957
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 63643027
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclohexyl-1-cyclopentylthiourea
CID 8677784
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66185976
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63643903
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 17442700
2-(4-chlorophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3,4-oxadiazole
CID 43168675
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-ethylpyrrolidin-3-amine
CID 63300120
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 75372969
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine (CID 63644262) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine is CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCNC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The InChIKey is ZQJJSAWVMSSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-20(13-3-2-8-17-9-13)10-14-18-19-15(21-14)11-4-6-12(16)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine has a molecular weight of 306.80 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 63644262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).