(NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine

C18H13F3N2O3 — CID 11792971

IUPAC(NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)14-5-3-13(4-6-14)17-23-15(11-26-17)10-25-16-7-1-12(2-8-16)9-22-24/h1-9,11,24H,10H2/b22-9+
InChIKeyJHSRFTBCGKGRBH-LSFURLLWSA-N
MW362.31 g/mol
LogP4.75
Rot. Bonds5

About (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 11792971) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine
PubChem CID11792971
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name(NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)14-5-3-13(4-6-14)17-23-15(11-26-17)10-25-16-7-1-12(2-8-16)9-22-24/h1-9,11,24H,10H2/b22-9+
InChIKeyJHSRFTBCGKGRBH-LSFURLLWSA-N
XLogP4.75
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 54273330
4-(triazol-1-ylmethyl)-2-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]-1,3-oxazole
CID 11179409
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 32563257
(E)-3-[3-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-en-1-ol
CID 10620366
N-[3-[3-methyl-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]hydroxylamine
CID 54572039
[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl methanesulfonate
CID 22064284
4-(triazol-1-ylmethyl)-2-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3-oxazole
CID 69424870
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596
ethyl (Z)-2-methyl-3-[3-methyl-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enoate
CID 67744248
2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol
CID 139970335
1-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-ol
CID 175956053
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine (CID 11792971) is (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine is O/N=C/c1ccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is JHSRFTBCGKGRBH-LSFURLLWSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c19-18(20,21)14-5-3-13(4-6-14)17-23-15(11-26-17)10-25-16-7-1-12(2-8-16)9-22-24/h1-9,11,24H,10H2/b22-9+.
What are the key properties of (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 362.31 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 11792971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).