N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide

C18H14F3N3O2 — CID 97082942

IUPACN'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\OCc1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-4-7-13(9-14)17(22)24-25-11-15-10-16(26-23-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,22,24)
InChIKeyWCJZHFQPBGEORX-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.20
Rot. Bonds5

About N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide

N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 97082942) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID97082942
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\OCc1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-4-7-13(9-14)17(22)24-25-11-15-10-16(26-23-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,22,24)
InChIKeyWCJZHFQPBGEORX-UHFFFAOYSA-N
XLogP4.20
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267725
(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 8579182
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
CID 8568214
2-(4-methyl-1,3-thiazol-2-yl)-N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]ethanimidamide
CID 126812144
(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
3-(2-bromoethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole
CID 175265096
3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole
CID 90125012
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol
CID 150361849
5-(3,4-dichlorophenyl)-3-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
CID 1484778
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749

Frequently Asked Questions

What is the IUPAC name of N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide (CID 97082942) is N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide is N/C(=N\OCc1cc(-c2ccccc2)on1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is WCJZHFQPBGEORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-4-7-13(9-14)17(22)24-25-11-15-10-16(26-23-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,22,24).
What are the key properties of N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide?
N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 361.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 97082942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).