N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

C14H20N4O — CID 55203186

IUPACN-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nc(-c2ccncc2)no1)C(C)C
InChIInChI=1S/C14H20N4O/c1-4-16-12(10(2)3)9-13-17-14(18-19-13)11-5-7-15-8-6-11/h5-8,10,12,16H,4,9H2,1-3H3
InChIKeyYJESJALKHOKCBF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.31
Rot. Bonds6

About N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 55203186) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID55203186
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCNC(Cc1nc(-c2ccncc2)no1)C(C)C
InChIInChI=1S/C14H20N4O/c1-4-16-12(10(2)3)9-13-17-14(18-19-13)11-5-7-15-8-6-11/h5-8,10,12,16H,4,9H2,1-3H3
InChIKeyYJESJALKHOKCBF-UHFFFAOYSA-N
XLogP2.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-methyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115531504
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347349
3,3-dimethyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347365
N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63352289
N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 54924301
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62826780
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
N-ethyl-3-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82007807
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347367
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347420
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 55203186) is N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CCNC(Cc1nc(-c2ccncc2)no1)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is YJESJALKHOKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-16-12(10(2)3)9-13-17-14(18-19-13)11-5-7-15-8-6-11/h5-8,10,12,16H,4,9H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 55203186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).