1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine

C10H19N3O — CID 63717020

IUPAC1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
SMILESCCC(C)c1noc(C(N)C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-7(4)9-12-10(14-13-9)8(11)6(2)3/h6-8H,5,11H2,1-4H3
InChIKeyIQDNTRVICUIEFR-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine (PubChem CID 63717020) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
PubChem CID63717020
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
SMILESCCC(C)c1noc(C(N)C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-7(4)9-12-10(14-13-9)8(11)6(2)3/h6-8H,5,11H2,1-4H3
InChIKeyIQDNTRVICUIEFR-UHFFFAOYSA-N
XLogP2.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63716697
3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
(1S)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901845
2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 61319735
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 63718735
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983451
(1S)-1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119999979
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 63717385

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine (CID 63717020) is 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine is CCC(C)c1noc(C(N)C(C)C)n1.
What is the InChIKey of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine?
The InChIKey is IQDNTRVICUIEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-7(4)9-12-10(14-13-9)8(11)6(2)3/h6-8H,5,11H2,1-4H3.
What are the key properties of 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine?
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 63717020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).