(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C16H17N5O2 — CID 70756733

IUPAC(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1ccc(C[C@H](N)c2nc(-c3ccc(C)nn3)no2)cc1
InChIInChI=1S/C16H17N5O2/c1-10-3-8-14(20-19-10)15-18-16(23-21-15)13(17)9-11-4-6-12(22-2)7-5-11/h3-8,13H,9,17H2,1-2H3/t13-/m0/s1
InChIKeyASWNEADTTJWOIT-ZDUSSCGKSA-N
MW311.35 g/mol
LogP2.09
Rot. Bonds5

About (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 70756733) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID70756733
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOc1ccc(C[C@H](N)c2nc(-c3ccc(C)nn3)no2)cc1
InChIInChI=1S/C16H17N5O2/c1-10-3-8-14(20-19-10)15-18-16(23-21-15)13(17)9-11-4-6-12(22-2)7-5-11/h3-8,13H,9,17H2,1-2H3/t13-/m0/s1
InChIKeyASWNEADTTJWOIT-ZDUSSCGKSA-N
XLogP2.09
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103372783
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 52994442
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937
1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 56770588
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
3-methyl-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 70732333
3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole
CID 143910181
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104788871
(1R)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902205
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 61375320

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 70756733) is (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is COc1ccc(C[C@H](N)c2nc(-c3ccc(C)nn3)no2)cc1.
What is the InChIKey of (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ASWNEADTTJWOIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-3-8-14(20-19-10)15-18-16(23-21-15)13(17)9-11-4-6-12(22-2)7-5-11/h3-8,13H,9,17H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 311.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-methoxyphenyl)-1-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 70756733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).