4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

C11H11N3O2S — CID 106922784

IUPAC4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Sc1ncco1
InChIInChI=1S/C11H11N3O2S/c1-15-7-2-3-8(10(12)13)9(6-7)17-11-14-4-5-16-11/h2-6H,1H3,(H3,12,13)
InChIKeyJCTASUDRXDFOGJ-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.12
Rot. Bonds4

About 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922784) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922784
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Sc1ncco1
InChIInChI=1S/C11H11N3O2S/c1-15-7-2-3-8(10(12)13)9(6-7)17-11-14-4-5-16-11/h2-6H,1H3,(H3,12,13)
InChIKeyJCTASUDRXDFOGJ-UHFFFAOYSA-N
XLogP2.12
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921313
2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
CID 81302486
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922788
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 81303543
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922802
4-methoxy-2-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 81299483
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
CID 81302879

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922784) is 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1Sc1ncco1.
What is the InChIKey of 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is JCTASUDRXDFOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-15-7-2-3-8(10(12)13)9(6-7)17-11-14-4-5-16-11/h2-6H,1H3,(H3,12,13).
What are the key properties of 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 249.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).