1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine

C13H26N4O — CID 79086274

IUPAC1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(CN(C)C)no1)C(C)C
InChIInChI=1S/C13H26N4O/c1-6-7-14-11(10(2)3)8-13-15-12(16-18-13)9-17(4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyMZSVNJMSPLQAPB-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.70
Rot. Bonds8

About 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine

1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine (PubChem CID 79086274) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
PubChem CID79086274
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(CN(C)C)no1)C(C)C
InChIInChI=1S/C13H26N4O/c1-6-7-14-11(10(2)3)8-13-15-12(16-18-13)9-17(4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyMZSVNJMSPLQAPB-UHFFFAOYSA-N
XLogP1.70
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 79086275
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79085499
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methyl-N-propylbutan-2-amine
CID 63347774
3-methyl-N-propyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809104
N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350659
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65137887
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 116781067
3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 116809221
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 79077361
N,N-dimethyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116799824

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine (CID 79086274) is 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1nc(CN(C)C)no1)C(C)C.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The InChIKey is MZSVNJMSPLQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-7-14-11(10(2)3)8-13-15-12(16-18-13)9-17(4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 79086274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).