3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline

C10H11N3O2S — CID 80737546

IUPAC3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCOc1cc(N)cc(Sc2nnc(C)o2)c1
InChIInChI=1S/C10H11N3O2S/c1-6-12-13-10(15-6)16-9-4-7(11)3-8(5-9)14-2/h3-5H,11H2,1-2H3
InChIKeyFNOOKHLKDSYRCH-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.12
Rot. Bonds3

About 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline

3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (PubChem CID 80737546) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
PubChem CID80737546
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCOc1cc(N)cc(Sc2nnc(C)o2)c1
InChIInChI=1S/C10H11N3O2S/c1-6-12-13-10(15-6)16-9-4-7(11)3-8(5-9)14-2/h3-5H,11H2,1-2H3
InChIKeyFNOOKHLKDSYRCH-UHFFFAOYSA-N
XLogP2.12
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (CID 80737546) is 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is COc1cc(N)cc(Sc2nnc(C)o2)c1.
What is the InChIKey of 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The InChIKey is FNOOKHLKDSYRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-12-13-10(15-6)16-9-4-7(11)3-8(5-9)14-2/h3-5H,11H2,1-2H3.
What are the key properties of 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline has a molecular weight of 237.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 80737546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).