4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide

C26H16ClF9N2O2 — CID 178083522

IUPAC4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1ccc(C2=NO[C@](c3cc(Cl)cc(C(F)(F)F)c3F)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C26H16ClF9N2O2/c27-12-7-18(21(28)19(8-12)25(31,32)33)24(26(34,35)36)11-20(38-40-24)16-5-6-17(15-4-2-1-3-14(15)16)22(39)37-13-9-23(29,30)10-13/h1-8,13H,9-11H2,(H,37,39)/t24-/m1/s1
InChIKeyBLCZHRNARKDNAI-XMMPIXPASA-N
MW594.86 g/mol
LogP7.76
Rot. Bonds4

About 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide

4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide (PubChem CID 178083522) has the molecular formula C26H16ClF9N2O2 and a molecular weight of 594.86 g/mol. Its IUPAC name is 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide
PubChem CID178083522
Molecular FormulaC26H16ClF9N2O2
Molecular Weight594.86 g/mol
Exact Mass594.08
IUPAC Name4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1ccc(C2=NO[C@](c3cc(Cl)cc(C(F)(F)F)c3F)(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C26H16ClF9N2O2/c27-12-7-18(21(28)19(8-12)25(31,32)33)24(26(34,35)36)11-20(38-40-24)16-5-6-17(15-4-2-1-3-14(15)16)22(39)37-13-9-23(29,30)10-13/h1-8,13H,9-11H2,(H,37,39)/t24-/m1/s1
InChIKeyBLCZHRNARKDNAI-XMMPIXPASA-N
XLogP7.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.86
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide with MolForge

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Related Compounds

4-[5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(3,3-difluorocyclobutyl)methyl]-2-methylbenzamide
CID 178083452
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methylnaphthalene-1-carboxamide
CID 146491854
6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)-4-methylpyridine-3-carboxamide
CID 178083500
4-[(5S)-5-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
CID 122609622
[(1Z,3E)-1-[(5S)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5-[(3,3-difluorocyclobutyl)amino]-3,4-dimethyl-5-oxopenta-1,3-dienyl]-hydroxyazanium
CID 178083481
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(thietan-3-ylamino)ethyl]naphthalene-1-carboxamide
CID 71529415
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(2R)-1-methylsulfanylpropan-2-yl]naphthalene-1-carboxamide
CID 68515544
4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid
CID 87169698
4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-iminoethyl)naphthalene-1-carboxamide
CID 146491828
N-[2-(1-cyclopropylpropan-2-ylamino)-2-oxoethyl]-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 68519174
5-[5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)-3-methylpyridine-2-carboxamide
CID 178083531
4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxylic acid
CID 87169817

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide?
The IUPAC name of 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide (CID 178083522) is 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide?
The canonical SMILES for 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide is O=C(NC1CC(F)(F)C1)c1ccc(C2=NO[C@](c3cc(Cl)cc(C(F)(F)F)c3F)(C(F)(F)F)C2)c2ccccc12.
What is the InChIKey of 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide?
The InChIKey is BLCZHRNARKDNAI-XMMPIXPASA-N. The full InChI is InChI=1S/C26H16ClF9N2O2/c27-12-7-18(21(28)19(8-12)25(31,32)33)24(26(34,35)36)11-20(38-40-24)16-5-6-17(15-4-2-1-3-14(15)16)22(39)37-13-9-23(29,30)10-13/h1-8,13H,9-11H2,(H,37,39)/t24-/m1/s1.
What are the key properties of 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide?
4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide has a molecular weight of 594.86 g/mol, XLogP of 7.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-[5-chloro-2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(3,3-difluorocyclobutyl)naphthalene-1-carboxamide is sourced from PubChem (CID 178083522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).