N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide

C21H16Cl3F3N2O3 — CID 58083412

IUPACN-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide
SMILESCC(=O)CN(C(C)=O)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C21H16Cl3F3N2O3/c1-11(30)10-29(12(2)31)19-5-13(3-4-17(19)24)18-9-20(32-28-18,21(25,26)27)14-6-15(22)8-16(23)7-14/h3-8H,9-10H2,1-2H3
InChIKeyMATVPBSBOJBISE-UHFFFAOYSA-N
MW507.72 g/mol
LogP6.17
Rot. Bonds5

About N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide

N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide (PubChem CID 58083412) has the molecular formula C21H16Cl3F3N2O3 and a molecular weight of 507.72 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide
PubChem CID58083412
Molecular FormulaC21H16Cl3F3N2O3
Molecular Weight507.72 g/mol
Exact Mass506.02
IUPAC NameN-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide
SMILESCC(=O)CN(C(C)=O)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C21H16Cl3F3N2O3/c1-11(30)10-29(12(2)31)19-5-13(3-4-17(19)24)18-9-20(32-28-18,21(25,26)27)14-6-15(22)8-16(23)7-14/h3-8H,9-10H2,1-2H3
InChIKeyMATVPBSBOJBISE-UHFFFAOYSA-N
XLogP6.17
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.72
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide?
The IUPAC name of N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide (CID 58083412) is N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide?
The canonical SMILES for N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide is CC(=O)CN(C(C)=O)c1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide?
The InChIKey is MATVPBSBOJBISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3F3N2O3/c1-11(30)10-29(12(2)31)19-5-13(3-4-17(19)24)18-9-20(32-28-18,21(25,26)27)14-6-15(22)8-16(23)7-14/h3-8H,9-10H2,1-2H3.
What are the key properties of N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide?
N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide has a molecular weight of 507.72 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 58083412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).