N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide

C19H16Cl2F3N3O2 — CID 56645446

IUPACN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide
SMILESCC(=O)N(C)Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C19H16Cl2F3N3O2/c1-11(28)27(2)25-16-5-3-4-12(6-16)17-10-18(29-26-17,19(22,23)24)13-7-14(20)9-15(21)8-13/h3-9,25H,10H2,1-2H3
InChIKeyONWJLSOPHNAZDB-UHFFFAOYSA-N
MW446.26 g/mol
LogP5.38
Rot. Bonds4

About N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide

N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide (PubChem CID 56645446) has the molecular formula C19H16Cl2F3N3O2 and a molecular weight of 446.26 g/mol. Its IUPAC name is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide
PubChem CID56645446
Molecular FormulaC19H16Cl2F3N3O2
Molecular Weight446.26 g/mol
Exact Mass445.06
IUPAC NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide
SMILESCC(=O)N(C)Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C19H16Cl2F3N3O2/c1-11(28)27(2)25-16-5-3-4-12(6-16)17-10-18(29-26-17,19(22,23)24)13-7-14(20)9-15(21)8-13/h3-9,25H,10H2,1-2H3
InChIKeyONWJLSOPHNAZDB-UHFFFAOYSA-N
XLogP5.38
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.26
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide?
The IUPAC name of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide (CID 56645446) is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide.
What is the SMILES notation for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide?
The canonical SMILES for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide is CC(=O)N(C)Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1.
What is the InChIKey of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide?
The InChIKey is ONWJLSOPHNAZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3N3O2/c1-11(28)27(2)25-16-5-3-4-12(6-16)17-10-18(29-26-17,19(22,23)24)13-7-14(20)9-15(21)8-13/h3-9,25H,10H2,1-2H3.
What are the key properties of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide?
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide has a molecular weight of 446.26 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-methylacetohydrazide is sourced from PubChem (CID 56645446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).