[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine

C14H18N4O2 — CID 115440150

IUPAC[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCc1ccnc(-c2noc(C3(CN)CCOCC3)n2)c1
InChIInChI=1S/C14H18N4O2/c1-10-2-5-16-11(8-10)12-17-13(20-18-12)14(9-15)3-6-19-7-4-14/h2,5,8H,3-4,6-7,9,15H2,1H3
InChIKeyUCRSVVHFQUDSEL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.45
Rot. Bonds3

About [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine

[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (PubChem CID 115440150) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
PubChem CID115440150
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCc1ccnc(-c2noc(C3(CN)CCOCC3)n2)c1
InChIInChI=1S/C14H18N4O2/c1-10-2-5-16-11(8-10)12-17-13(20-18-12)14(9-15)3-6-19-7-4-14/h2,5,8H,3-4,6-7,9,15H2,1H3
InChIKeyUCRSVVHFQUDSEL-UHFFFAOYSA-N
XLogP1.45
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine 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

[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
CID 115440117
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63839712
[4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 82732096
[4-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440184
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
[4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 106847445
[4-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440192
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440111
[4-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine;hydrochloride
CID 120955818
[4-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine;hydrochloride
CID 120955603
[1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446099

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (CID 115440150) is [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is Cc1ccnc(-c2noc(C3(CN)CCOCC3)n2)c1.
What is the InChIKey of [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The InChIKey is UCRSVVHFQUDSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-2-5-16-11(8-10)12-17-13(20-18-12)14(9-15)3-6-19-7-4-14/h2,5,8H,3-4,6-7,9,15H2,1H3.
What are the key properties of [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine has a molecular weight of 274.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 115440150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).