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

C14H15N5O — CID 104901617

IUPAC(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1nc(-c2ccc3nccnc3c2)no1
InChIInChI=1S/C14H15N5O/c1-8(2)12(15)14-18-13(19-20-14)9-3-4-10-11(7-9)17-6-5-16-10/h3-8,12H,15H2,1-2H3/t12-/m0/s1
InChIKeyXMUJIKNKRONBAT-LBPRGKRZSA-N
MW269.31 g/mol
LogP2.34
Rot. Bonds3

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

(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 104901617) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID104901617
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1nc(-c2ccc3nccnc3c2)no1
InChIInChI=1S/C14H15N5O/c1-8(2)12(15)14-18-13(19-20-14)9-3-4-10-11(7-9)17-6-5-16-10/h3-8,12H,15H2,1-2H3/t12-/m0/s1
InChIKeyXMUJIKNKRONBAT-LBPRGKRZSA-N
XLogP2.34
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104901602
(1S)-3-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104881165
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
2-methyl-1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43625121
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
3-[5-[(1R)-1-amino-2-methylpropyl]-1,2,4-oxadiazol-3-yl]phenol
CID 96810008
(1R)-1-[3-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901771
(1S)-1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119999979
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
(1R)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103399515
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 63095950

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 104901617) is (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(C)[C@H](N)c1nc(-c2ccc3nccnc3c2)no1.
What is the InChIKey of (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is XMUJIKNKRONBAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(2)12(15)14-18-13(19-20-14)9-3-4-10-11(7-9)17-6-5-16-10/h3-8,12H,15H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
(1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(3-quinoxalin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 104901617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).