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

C13H25N3O — CID 63348218

IUPAC4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nc(CC(C)C)no1
InChIInChI=1S/C13H25N3O/c1-5-8-14-11(4)6-7-13-15-12(16-17-13)9-10(2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyGQMCOSONOBQLRC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds8

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

4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (PubChem CID 63348218) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
PubChem CID63348218
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nc(CC(C)C)no1
InChIInChI=1S/C13H25N3O/c1-5-8-14-11(4)6-7-13-15-12(16-17-13)9-10(2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyGQMCOSONOBQLRC-UHFFFAOYSA-N
XLogP2.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348217
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 63352426
4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733339
N-propyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809121
4-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79966386
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 104612022
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63347023
N-propyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 115531438
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65137887

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The IUPAC name of 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (CID 63348218) is 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.
What is the SMILES notation for 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The canonical SMILES for 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is CCCNC(C)CCc1nc(CC(C)C)no1.
What is the InChIKey of 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The InChIKey is GQMCOSONOBQLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-14-11(4)6-7-13-15-12(16-17-13)9-10(2)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is sourced from PubChem (CID 63348218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).