1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine

C13H17N3O2S — CID 55052965

IUPAC1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCOc1ccc(C(Sc2nnc(C)o2)C(C)N)cc1
InChIInChI=1S/C13H17N3O2S/c1-8(14)12(19-13-16-15-9(2)18-13)10-4-6-11(17-3)7-5-10/h4-8,12H,14H2,1-3H3
InChIKeySDHSDFBGVBSQRC-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.57
Rot. Bonds5

About 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine

1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 55052965) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
PubChem CID55052965
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCOc1ccc(C(Sc2nnc(C)o2)C(C)N)cc1
InChIInChI=1S/C13H17N3O2S/c1-8(14)12(19-13-16-15-9(2)18-13)10-4-6-11(17-3)7-5-10/h4-8,12H,14H2,1-3H3
InChIKeySDHSDFBGVBSQRC-UHFFFAOYSA-N
XLogP2.57
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 62255431
1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 62267854
1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017416
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 62254897
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine
CID 107749022
7-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-2-amine
CID 62255462
3-[2-amino-1-(4-methoxyphenyl)propyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62882311
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
(2S)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 104889207
2-(4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253274
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine (CID 55052965) is 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine is COc1ccc(C(Sc2nnc(C)o2)C(C)N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is SDHSDFBGVBSQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8(14)12(19-13-16-15-9(2)18-13)10-4-6-11(17-3)7-5-10/h4-8,12H,14H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine?
1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 279.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 55052965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).