4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide

C23H17Cl2F3N2O3 — CID 91213501

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide
SMILESO=C(NCCO)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)c2ccccc12
InChIInChI=1S/C23H17Cl2F3N2O3/c24-14-9-13(10-15(25)11-14)22(23(26,27)28)12-20(30-33-22)18-5-6-19(21(32)29-7-8-31)17-4-2-1-3-16(17)18/h1-6,9-12,30-31H,7-8H2,(H,29,32)
InChIKeyQRQRHGSZHGIHAH-UHFFFAOYSA-N
MW497.30 g/mol
LogP5.20
Rot. Bonds5

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide (PubChem CID 91213501) has the molecular formula C23H17Cl2F3N2O3 and a molecular weight of 497.30 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide
PubChem CID91213501
Molecular FormulaC23H17Cl2F3N2O3
Molecular Weight497.30 g/mol
Exact Mass496.06
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide
SMILESO=C(NCCO)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)c2ccccc12
InChIInChI=1S/C23H17Cl2F3N2O3/c24-14-9-13(10-15(25)11-14)22(23(26,27)28)12-20(30-33-22)18-5-6-19(21(32)29-7-8-31)17-4-2-1-3-16(17)18/h1-6,9-12,30-31H,7-8H2,(H,29,32)
InChIKeyQRQRHGSZHGIHAH-UHFFFAOYSA-N
XLogP5.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.30
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide 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

tert-butyl N-[3-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalene-1-carbonyl]amino]propyl]-N-methylcarbamate
CID 91353368
methyl 8-bromo-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
CID 91524960
4-[5-[3-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-methylsulfonylethyl)naphthalene-1-carboxamide
CID 90965577
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-[2-[2-(methylamino)ethoxyamino]ethenyl]naphthalene-1-carboxamide
CID 123507222
methyl 4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]naphthalene-1-carboxylate
CID 123923684
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-[(E)-3,3,3-trifluoro-2-(methoxyamino)prop-1-enyl]naphthalene-1-carboxamide
CID 123212445
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-[(E)-2-(propan-2-yloxyamino)ethenyl]naphthalene-1-carboxamide
CID 123233227
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 90715112
5-(3,5-dichlorophenyl)-3-[4-(1,2,4-triazol-1-yl)naphthalen-1-yl]-5-(trifluoromethyl)-2H-1,2-oxazole
CID 123370225
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 91379496
4-[5-[3-bromo-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-[1-(methylamino)-1-oxopropan-2-yl]naphthalene-1-carboxamide
CID 91281643
N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 91399879

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide (CID 91213501) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide is O=C(NCCO)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)c2ccccc12.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide?
The InChIKey is QRQRHGSZHGIHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F3N2O3/c24-14-9-13(10-15(25)11-14)22(23(26,27)28)12-20(30-33-22)18-5-6-19(21(32)29-7-8-31)17-4-2-1-3-16(17)18/h1-6,9-12,30-31H,7-8H2,(H,29,32).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide has a molecular weight of 497.30 g/mol, XLogP of 5.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-hydroxyethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 91213501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).