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

C13H17N3O — CID 62047775

IUPAC2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(C)(N)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-13(2,14)9-8-11-15-12(16-17-11)10-6-4-3-5-7-10/h3-7H,8-9,14H2,1-2H3
InChIKeyCSCXUILYZNIXSY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.41
Rot. Bonds4

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

2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 62047775) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID62047775
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(C)(N)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-13(2,14)9-8-11-15-12(16-17-11)10-6-4-3-5-7-10/h3-7H,8-9,14H2,1-2H3
InChIKeyCSCXUILYZNIXSY-UHFFFAOYSA-N
XLogP2.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62048144
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
2-methyl-4-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62049822
3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 79804455
1-[ethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylpropan-2-ol
CID 111448307
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 65285630
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanesulfinate
CID 66972805
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64673410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 62047775) is 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine is CC(C)(N)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is CSCXUILYZNIXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,14)9-8-11-15-12(16-17-11)10-6-4-3-5-7-10/h3-7H,8-9,14H2,1-2H3.
What are the key properties of 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 62047775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).