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

C10H19N3O — CID 61319735

IUPAC2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1noc(C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-7(4)8(11)9-12-10(6(2)3)14-13-9/h6-8H,5,11H2,1-4H3
InChIKeyLAWDCHGZEZLCBM-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.24
Rot. Bonds4

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

2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine (PubChem CID 61319735) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine
PubChem CID61319735
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1noc(C(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-7(4)8(11)9-12-10(6(2)3)14-13-9/h6-8H,5,11H2,1-4H3
InChIKeyLAWDCHGZEZLCBM-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

(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
CID 177328062
(1S,2S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900344
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020
5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753218
2-[5-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104900337
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43622133
(1S,2S)-2-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900251
cyclopentyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 62070741

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine (CID 61319735) is 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine is CCC(C)C(N)c1noc(C(C)C)n1.
What is the InChIKey of 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The InChIKey is LAWDCHGZEZLCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-7(4)8(11)9-12-10(6(2)3)14-13-9/h6-8H,5,11H2,1-4H3.
What are the key properties of 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine?
2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-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 2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine is sourced from PubChem (CID 61319735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).