4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide

C18H14ClF3N2O3 — CID 59652495

IUPAC4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N2O3/c19-14-6-4-12(5-7-14)16(25)23-10-11-2-1-3-13(8-11)15-9-17(26,27-24-15)18(20,21)22/h1-8,26H,9-10H2,(H,23,25)
InChIKeyHKMZYXWDUVKCLQ-UHFFFAOYSA-N
MW398.77 g/mol
LogP3.65
Rot. Bonds4

About 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide

4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide (PubChem CID 59652495) has the molecular formula C18H14ClF3N2O3 and a molecular weight of 398.77 g/mol. Its IUPAC name is 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
PubChem CID59652495
Molecular FormulaC18H14ClF3N2O3
Molecular Weight398.77 g/mol
Exact Mass398.06
IUPAC Name4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N2O3/c19-14-6-4-12(5-7-14)16(25)23-10-11-2-1-3-13(8-11)15-9-17(26,27-24-15)18(20,21)22/h1-8,26H,9-10H2,(H,23,25)
InChIKeyHKMZYXWDUVKCLQ-UHFFFAOYSA-N
XLogP3.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652635
3-amino-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 67593914
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]pyridine-3-carboxamide
CID 59652429
1-benzyl-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652464
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652423
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]quinoline-2-carboxamide
CID 59652607
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 59652669
1-(4-cyanophenyl)-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652617
4-(dimethylamino)-N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652547
1-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-(2-methoxyphenyl)urea
CID 59652452
3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 67362753
N-[[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]butanamide
CID 67256933

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide (CID 59652495) is 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide is O=C(NCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide?
The InChIKey is HKMZYXWDUVKCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O3/c19-14-6-4-12(5-7-14)16(25)23-10-11-2-1-3-13(8-11)15-9-17(26,27-24-15)18(20,21)22/h1-8,26H,9-10H2,(H,23,25).
What are the key properties of 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide?
4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide has a molecular weight of 398.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 59652495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).