4-(1,3-oxazol-2-ylsulfanyl)aniline

C9H8N2OS — CID 106921302

IUPAC4-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1ccc(Sc2ncco2)cc1
InChIInChI=1S/C9H8N2OS/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-6H,10H2
InChIKeyRFTCQWOCYGAUHA-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.41
Rot. Bonds2

About 4-(1,3-oxazol-2-ylsulfanyl)aniline

4-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921302) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921302
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1ccc(Sc2ncco2)cc1
InChIInChI=1S/C9H8N2OS/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-6H,10H2
InChIKeyRFTCQWOCYGAUHA-UHFFFAOYSA-N
XLogP2.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.41
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 4-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921302) is 4-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)aniline is Nc1ccc(Sc2ncco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is RFTCQWOCYGAUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-6H,10H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)aniline?
4-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 192.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).