5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile

C10H7N3OS — CID 106921373

IUPAC5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1cc(N)ccc1Sc1ncco1
InChIInChI=1S/C10H7N3OS/c11-6-7-5-8(12)1-2-9(7)15-10-13-3-4-14-10/h1-5H,12H2
InChIKeyMDMRNNBJZHBSQG-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.28
Rot. Bonds2

About 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile

5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile (PubChem CID 106921373) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
PubChem CID106921373
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1cc(N)ccc1Sc1ncco1
InChIInChI=1S/C10H7N3OS/c11-6-7-5-8(12)1-2-9(7)15-10-13-3-4-14-10/h1-5H,12H2
InChIKeyMDMRNNBJZHBSQG-UHFFFAOYSA-N
XLogP2.28
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106898488
2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline
CID 106921301
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921322
3-Fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372
4-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921375
4-(1,3-Oxazol-2-ylsulfanyl)-3-(trifluoromethyl)aniline
CID 106921387
3-(Difluoromethyl)-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921389
5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921411
3,5-Difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
3-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921775
2-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921776

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The IUPAC name of 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile (CID 106921373) is 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile.
What is the SMILES notation for 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The canonical SMILES for 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile is N#Cc1cc(N)ccc1Sc1ncco1.
What is the InChIKey of 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The InChIKey is MDMRNNBJZHBSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c11-6-7-5-8(12)1-2-9(7)15-10-13-3-4-14-10/h1-5H,12H2.
What are the key properties of 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile is sourced from PubChem (CID 106921373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).