1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C14H16N6O2 — CID 91835903

IUPAC1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCc1noc(CN(C)Cc2nc(-c3ccncc3)no2)n1
InChIInChI=1S/C14H16N6O2/c1-3-11-16-12(21-18-11)8-20(2)9-13-17-14(19-22-13)10-4-6-15-7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyHICBWLAJXWJBJR-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.71
Rot. Bonds6

About 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 91835903) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID91835903
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCc1noc(CN(C)Cc2nc(-c3ccncc3)no2)n1
InChIInChI=1S/C14H16N6O2/c1-3-11-16-12(21-18-11)8-20(2)9-13-17-14(19-22-13)10-4-6-15-7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyHICBWLAJXWJBJR-UHFFFAOYSA-N
XLogP1.71
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
CID 131904242
1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 70751638
1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 46989678
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 51075896
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 154895780
6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56757986
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70760900
4-chloro-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1301101
1-(5-bromothiophen-2-yl)-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 8971631
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 51223980
tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 174704864

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 91835903) is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CCc1noc(CN(C)Cc2nc(-c3ccncc3)no2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is HICBWLAJXWJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-3-11-16-12(21-18-11)8-20(2)9-13-17-14(19-22-13)10-4-6-15-7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 300.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 91835903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).