5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

C10H8BrN3OS — CID 106922788

IUPAC5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Sc1ncco1
InChIInChI=1S/C10H8BrN3OS/c11-6-1-2-8(7(5-6)9(12)13)16-10-14-3-4-15-10/h1-5H,(H3,12,13)
InChIKeyQZSMTYUACXNEMD-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922788) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922788
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Sc1ncco1
InChIInChI=1S/C10H8BrN3OS/c11-6-1-2-8(7(5-6)9(12)13)16-10-14-3-4-15-10/h1-5H,(H3,12,13)
InChIKeyQZSMTYUACXNEMD-UHFFFAOYSA-N
XLogP2.87
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzenecarboximidamide
CID 114893602
5-bromo-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 114893594
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922802
5-bromo-2-(4-propan-2-ylphenyl)sulfanylbenzenecarboximidamide
CID 114893597
5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 114893614
5-bromo-2-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 114893606
N-[[5-bromo-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 114062087
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
5-bromo-2-(3-methoxypropylsulfanyl)benzenecarboximidamide
CID 114893666
(1R)-1-[3-bromo-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanol
CID 106926854
4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide
CID 114905233

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922788) is 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Sc1ncco1.
What is the InChIKey of 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is QZSMTYUACXNEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c11-6-1-2-8(7(5-6)9(12)13)16-10-14-3-4-15-10/h1-5H,(H3,12,13).
What are the key properties of 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 298.17 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).