4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C14H20N4O — CID 104685966

IUPAC4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCc1cnc(-c2noc(C(C)CCCN)n2)c(C)c1
InChIInChI=1S/C14H20N4O/c1-9-7-11(3)12(16-8-9)13-17-14(19-18-13)10(2)5-4-6-15/h7-8,10H,4-6,15H2,1-3H3
InChIKeyCMCGWONKFDTVCJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.59
Rot. Bonds5

About 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104685966) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104685966
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCc1cnc(-c2noc(C(C)CCCN)n2)c(C)c1
InChIInChI=1S/C14H20N4O/c1-9-7-11(3)12(16-8-9)13-17-14(19-18-13)10(2)5-4-6-15/h7-8,10H,4-6,15H2,1-3H3
InChIKeyCMCGWONKFDTVCJ-UHFFFAOYSA-N
XLogP2.59
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107502115
1-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 113365455
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685803
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103083344
(S)-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898777
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685798
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685787
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526680
4-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 106818844
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685789
3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 114754512
4-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685792

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104685966) is 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is Cc1cnc(-c2noc(C(C)CCCN)n2)c(C)c1.
What is the InChIKey of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is CMCGWONKFDTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-7-11(3)12(16-8-9)13-17-14(19-18-13)10(2)5-4-6-15/h7-8,10H,4-6,15H2,1-3H3.
What are the key properties of 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104685966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).