3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline

C12H14N2OS — CID 106921700

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
SMILESCc1nc(Sc2cccc(N)c2C)oc1C
InChIInChI=1S/C12H14N2OS/c1-7-10(13)5-4-6-11(7)16-12-14-8(2)9(3)15-12/h4-6H,13H2,1-3H3
InChIKeyUDIUWOKQXZSHJL-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.33
Rot. Bonds2

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline (PubChem CID 106921700) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
PubChem CID106921700
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
SMILESCc1nc(Sc2cccc(N)c2C)oc1C
InChIInChI=1S/C12H14N2OS/c1-7-10(13)5-4-6-11(7)16-12-14-8(2)9(3)15-12/h4-6H,13H2,1-3H3
InChIKeyUDIUWOKQXZSHJL-UHFFFAOYSA-N
XLogP3.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline (CID 106921700) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline is Cc1nc(Sc2cccc(N)c2C)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline?
The InChIKey is UDIUWOKQXZSHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-10(13)5-4-6-11(7)16-12-14-8(2)9(3)15-12/h4-6H,13H2,1-3H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline has a molecular weight of 234.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline is sourced from PubChem (CID 106921700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).