2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile

C10H7N3OS — CID 106921446

IUPAC2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1ccc(Sc2ncco2)cc1N
InChIInChI=1S/C10H7N3OS/c11-6-7-1-2-8(5-9(7)12)15-10-13-3-4-14-10/h1-5H,12H2
InChIKeyDRFNRISCLRZMHY-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile

2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile (PubChem CID 106921446) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile.

Molecular Properties

Compound Name2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
PubChem CID106921446
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1ccc(Sc2ncco2)cc1N
InChIInChI=1S/C10H7N3OS/c11-6-7-1-2-8(5-9(7)12)15-10-13-3-4-14-10/h1-5H,12H2
InChIKeyDRFNRISCLRZMHY-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'}

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Related Compounds

5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile
CID 106922375
2-amino-4-(2-methylfuran-3-yl)sulfanylbenzonitrile
CID 107779630
[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
CID 106923671
3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921428
3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926334
N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
CID 106926421
5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
5-(ethylaminomethyl)-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 114063963
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde
CID 106926357

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The IUPAC name of 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile (CID 106921446) is 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile.
What is the SMILES notation for 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The canonical SMILES for 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile is N#Cc1ccc(Sc2ncco2)cc1N.
What is the InChIKey of 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The InChIKey is DRFNRISCLRZMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c11-6-7-1-2-8(5-9(7)12)15-10-13-3-4-14-10/h1-5H,12H2.
What are the key properties of 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
2-amino-4-(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 2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile is sourced from PubChem (CID 106921446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).