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

C19H13Cl2F6N3O2 — CID 56645659

IUPACN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide
SMILESO=C(CC(F)(F)F)NNc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C19H13Cl2F6N3O2/c20-12-5-11(6-13(21)7-12)17(19(25,26)27)8-15(30-32-17)10-2-1-3-14(4-10)28-29-16(31)9-18(22,23)24/h1-7,28H,8-9H2,(H,29,31)
InChIKeyNNLNCJQLGRLEPQ-UHFFFAOYSA-N
MW500.23 g/mol
LogP5.97
Rot. Bonds5

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

N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide (PubChem CID 56645659) has the molecular formula C19H13Cl2F6N3O2 and a molecular weight of 500.23 g/mol. Its IUPAC name is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide.

Molecular Properties

Compound NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide
PubChem CID56645659
Molecular FormulaC19H13Cl2F6N3O2
Molecular Weight500.23 g/mol
Exact Mass499.03
IUPAC NameN'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide
SMILESO=C(CC(F)(F)F)NNc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C19H13Cl2F6N3O2/c20-12-5-11(6-13(21)7-12)17(19(25,26)27)8-15(30-32-17)10-2-1-3-14(4-10)28-29-16(31)9-18(22,23)24/h1-7,28H,8-9H2,(H,29,31)
InChIKeyNNLNCJQLGRLEPQ-UHFFFAOYSA-N
XLogP5.97
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.23
LogP ≤ 55.97
H-Bond Donors ≤ 52
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]-3,3,3-trifluoropropanehydrazide?
The IUPAC name of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide (CID 56645659) is N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide.
What is the SMILES notation for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide?
The canonical SMILES for N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide is O=C(CC(F)(F)F)NNc1cccc(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]-3,3,3-trifluoropropanehydrazide?
The InChIKey is NNLNCJQLGRLEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F6N3O2/c20-12-5-11(6-13(21)7-12)17(19(25,26)27)8-15(30-32-17)10-2-1-3-14(4-10)28-29-16(31)9-18(22,23)24/h1-7,28H,8-9H2,(H,29,31).
What are the key properties of N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide?
N'-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3,3,3-trifluoropropanehydrazide has a molecular weight of 500.23 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 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]-3,3,3-trifluoropropanehydrazide is sourced from PubChem (CID 56645659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).