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

C12H15N3OS — CID 55240847

IUPAC1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
SMILESCc1nnc(Sc2ccc(CC(C)N)cc2)o1
InChIInChI=1S/C12H15N3OS/c1-8(13)7-10-3-5-11(6-4-10)17-12-15-14-9(2)16-12/h3-6,8H,7,13H2,1-2H3
InChIKeyPWEUGHXQLSWISJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.42
Rot. Bonds4

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

1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine (PubChem CID 55240847) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
PubChem CID55240847
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
SMILESCc1nnc(Sc2ccc(CC(C)N)cc2)o1
InChIInChI=1S/C12H15N3OS/c1-8(13)7-10-3-5-11(6-4-10)17-12-15-14-9(2)16-12/h3-6,8H,7,13H2,1-2H3
InChIKeyPWEUGHXQLSWISJ-UHFFFAOYSA-N
XLogP2.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine (CID 55240847) is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine is Cc1nnc(Sc2ccc(CC(C)N)cc2)o1.
What is the InChIKey of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine?
The InChIKey is PWEUGHXQLSWISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(13)7-10-3-5-11(6-4-10)17-12-15-14-9(2)16-12/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine?
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine is sourced from PubChem (CID 55240847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).