3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine

C12H15N3OS — CID 65143451

IUPAC3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CSc2ccccc2)no1
InChIInChI=1S/C12H15N3OS/c1-2-8-13-12-14-11(15-16-12)9-17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15)
InChIKeyYYQFFFPGCFCFJN-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.18
Rot. Bonds6

About 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine

3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 65143451) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID65143451
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CSc2ccccc2)no1
InChIInChI=1S/C12H15N3OS/c1-2-8-13-12-14-11(15-16-12)9-17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15)
InChIKeyYYQFFFPGCFCFJN-UHFFFAOYSA-N
XLogP3.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-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

N-tert-butyl-3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-amine
CID 65143499
3-[(3-chlorophenyl)sulfanylmethyl]-N-ethyl-1,2,4-oxadiazol-5-amine
CID 66148538
3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594478
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268704
3-[(3-fluorophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 66071088
3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65140538
3-[(2-bromophenyl)sulfanylmethyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 66144299
5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66298866
N-tert-butyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66066517
N-methyl-1-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65143603
2-(phenylsulfanylmethyl)-6-(propylamino)pyrimidine-4-carboxylic acid
CID 82169953
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine (CID 65143451) is 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(CSc2ccccc2)no1.
What is the InChIKey of 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is YYQFFFPGCFCFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-8-13-12-14-11(15-16-12)9-17-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15).
What are the key properties of 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65143451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).