(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C15H17N5O — CID 104881165

IUPAC(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(C)C[C@H](N)c1nc(-c2ccc3nccnc3c2)no1
InChIInChI=1S/C15H17N5O/c1-9(2)7-11(16)15-19-14(20-21-15)10-3-4-12-13(8-10)18-6-5-17-12/h3-6,8-9,11H,7,16H2,1-2H3/t11-/m0/s1
InChIKeyGOVATGXICOGRHG-NSHDSACASA-N
MW283.33 g/mol
LogP2.73
Rot. Bonds4

About (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 104881165) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID104881165
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(C)C[C@H](N)c1nc(-c2ccc3nccnc3c2)no1
InChIInChI=1S/C15H17N5O/c1-9(2)7-11(16)15-19-14(20-21-15)10-3-4-12-13(8-10)18-6-5-17-12/h3-6,8-9,11H,7,16H2,1-2H3/t11-/m0/s1
InChIKeyGOVATGXICOGRHG-NSHDSACASA-N
XLogP2.73
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901617
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 81492063
4-[5-[(1R)-1-amino-3-methylbutyl]-1,2,4-oxadiazol-3-yl]phenol
CID 136775541
(1R)-1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904277
(1S)-3-methyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832706
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 82626741
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
(1R)-1-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904268
2-amino-2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63097003
(1R)-1-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 82625186
(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602
(1S)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 136820497

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 104881165) is (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CC(C)C[C@H](N)c1nc(-c2ccc3nccnc3c2)no1.
What is the InChIKey of (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is GOVATGXICOGRHG-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(2)7-11(16)15-19-14(20-21-15)10-3-4-12-13(8-10)18-6-5-17-12/h3-6,8-9,11H,7,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 104881165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).