4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide

C25H21Cl2F6N5O2 — CID 175476599

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
SMILESCCn1nc(NC(=O)c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)nc1CC(F)C(F)F
InChIInChI=1S/C25H21Cl2F6N5O2/c1-3-38-20(10-18(28)21(29)30)34-23(36-38)35-22(39)17-5-4-13(6-12(17)2)19-11-24(40-37-19,25(31,32)33)14-7-15(26)9-16(27)8-14/h4-9,18,21H,3,10-11H2,1-2H3,(H,35,36,39)
InChIKeyPNTXZCISJZWZKX-UHFFFAOYSA-N
MW608.37 g/mol
LogP6.89
Rot. Bonds8

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide (PubChem CID 175476599) has the molecular formula C25H21Cl2F6N5O2 and a molecular weight of 608.37 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
PubChem CID175476599
Molecular FormulaC25H21Cl2F6N5O2
Molecular Weight608.37 g/mol
Exact Mass607.10
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
SMILESCCn1nc(NC(=O)c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)nc1CC(F)C(F)F
InChIInChI=1S/C25H21Cl2F6N5O2/c1-3-38-20(10-18(28)21(29)30)34-23(36-38)35-22(39)17-5-4-13(6-12(17)2)19-11-24(40-37-19,25(31,32)33)14-7-15(26)9-16(27)8-14/h4-9,18,21H,3,10-11H2,1-2H3,(H,35,36,39)
InChIKeyPNTXZCISJZWZKX-UHFFFAOYSA-N
XLogP6.89
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.37
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide 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

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 163397924
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-methyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]benzamide
CID 163397955
N-[1-(cyanomethyl)-5-(methoxymethyl)-1,2,4-triazol-3-yl]-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 163397957
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
CID 163397925
N-(3-chloro-1,1,1-trifluoropropan-2-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 169004156
4-[5-(3,5-dichlorophenyl)-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazol-3-yl]-N'-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-2-methylbenzohydrazide
CID 178131410
methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 59563501
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;hydrochloride
CID 87260577
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(2R)-1-hydroxy-3-sulfanylpropan-2-yl]-2-methylbenzamide
CID 162589172
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethoxymethyl)benzamide
CID 25217023
ethane;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 143943224
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzamide
CID 163397953

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide (CID 175476599) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide is CCn1nc(NC(=O)c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)nc1CC(F)C(F)F.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide?
The InChIKey is PNTXZCISJZWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F6N5O2/c1-3-38-20(10-18(28)21(29)30)34-23(36-38)35-22(39)17-5-4-13(6-12(17)2)19-11-24(40-37-19,25(31,32)33)14-7-15(26)9-16(27)8-14/h4-9,18,21H,3,10-11H2,1-2H3,(H,35,36,39).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide has a molecular weight of 608.37 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[1-ethyl-5-(2,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 175476599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).