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

C17H17ClN4O — CID 46265224

IUPACN-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCCCNc1ncccc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H17ClN4O/c1-2-3-10-19-16-14(5-4-11-20-16)17-21-15(22-23-17)12-6-8-13(18)9-7-12/h4-9,11H,2-3,10H2,1H3,(H,19,20)
InChIKeySBDPVCVJLIJEMF-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.66
Rot. Bonds6

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

N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 46265224) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID46265224
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCCCNc1ncccc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H17ClN4O/c1-2-3-10-19-16-14(5-4-11-20-16)17-21-15(22-23-17)12-6-8-13(18)9-7-12/h4-9,11H,2-3,10H2,1H3,(H,19,20)
InChIKeySBDPVCVJLIJEMF-UHFFFAOYSA-N
XLogP4.66
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 23613814
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
CID 23613832
N-butyl-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135823
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine
CID 46265210
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
CID 133321671
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 155941527
3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99963017
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63347248
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057298
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 46265169

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 46265224) is N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CCCCNc1ncccc1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is SBDPVCVJLIJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-2-3-10-19-16-14(5-4-11-20-16)17-21-15(22-23-17)12-6-8-13(18)9-7-12/h4-9,11H,2-3,10H2,1H3,(H,19,20).
What are the key properties of N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 328.80 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 46265224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).