N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide

C15H12FN3O2S — CID 60548010

IUPACN'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide
SMILESN/C(=N/OCc1coc(-c2cccc(F)c2)n1)c1cccs1
InChIInChI=1S/C15H12FN3O2S/c16-11-4-1-3-10(7-11)15-18-12(8-20-15)9-21-19-14(17)13-5-2-6-22-13/h1-8H,9H2,(H2,17,19)
InChIKeyOVNSGYXJVWYHCD-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.38
Rot. Bonds5

About N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide

N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide (PubChem CID 60548010) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide
PubChem CID60548010
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC NameN'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide
SMILESN/C(=N/OCc1coc(-c2cccc(F)c2)n1)c1cccs1
InChIInChI=1S/C15H12FN3O2S/c16-11-4-1-3-10(7-11)15-18-12(8-20-15)9-21-19-14(17)13-5-2-6-22-13/h1-8H,9H2,(H2,17,19)
InChIKeyOVNSGYXJVWYHCD-UHFFFAOYSA-N
XLogP3.38
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide?
The IUPAC name of N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide (CID 60548010) is N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide?
The canonical SMILES for N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide is N/C(=N/OCc1coc(-c2cccc(F)c2)n1)c1cccs1.
What is the InChIKey of N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide?
The InChIKey is OVNSGYXJVWYHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-11-4-1-3-10(7-11)15-18-12(8-20-15)9-21-19-14(17)13-5-2-6-22-13/h1-8H,9H2,(H2,17,19).
What are the key properties of N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide?
N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide has a molecular weight of 317.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]thiophene-2-carboximidamide is sourced from PubChem (CID 60548010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).