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

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Related Compounds

1-(2-Fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
CID 55053107
1-(4-Fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 55053156
1-[2-Fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55053395
N-ethyl-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55053396
1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
CID 55053397
[2-[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
CID 55053447
(1R)-1-[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55183716
1-[3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 55240205
2-[5-Fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55240846
1-[5-Fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]butan-2-amine
CID 55240851
2-(4-Fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253274
2-(2-Fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253453

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).