N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide

C23H16ClFN2O3 — CID 139917923

IUPACN-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1O)Nc1oc(-c2ccccc2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H16ClFN2O3/c24-18-9-5-4-8-17(18)21-23(30-22(27-21)14-6-2-1-3-7-14)26-20(29)12-15-10-11-16(25)13-19(15)28/h1-11,13,28H,12H2,(H,26,29)
InChIKeyPVZQCQCDPMPQIT-UHFFFAOYSA-N
MW422.84 g/mol
LogP5.69
Rot. Bonds5

About N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide

N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide (PubChem CID 139917923) has the molecular formula C23H16ClFN2O3 and a molecular weight of 422.84 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
PubChem CID139917923
Molecular FormulaC23H16ClFN2O3
Molecular Weight422.84 g/mol
Exact Mass422.08
IUPAC NameN-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1O)Nc1oc(-c2ccccc2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H16ClFN2O3/c24-18-9-5-4-8-17(18)21-23(30-22(27-21)14-6-2-1-3-7-14)26-20(29)12-15-10-11-16(25)13-19(15)28/h1-11,13,28H,12H2,(H,26,29)
InChIKeyPVZQCQCDPMPQIT-UHFFFAOYSA-N
XLogP5.69
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.84
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
CID 139917925
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methoxyphenyl)acetamide
CID 139918040
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetamide
CID 139917924
2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139918056
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide
CID 139918004
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide
CID 139917941
2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide
CID 3648729
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311
2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid
CID 59384660
2-(4-chloro-2-hydroxyphenyl)-N-[2-phenyl-4-(2-sulfanylphenyl)-1,3-oxazol-5-yl]pentanamide
CID 139917997
N-[2-[2-(2-hydroxyphenyl)phenyl]-4-phenyl-1,3-oxazol-5-yl]pentanamide
CID 139917947

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide (CID 139917923) is N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide is O=C(Cc1ccc(F)cc1O)Nc1oc(-c2ccccc2)nc1-c1ccccc1Cl.
What is the InChIKey of N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide?
The InChIKey is PVZQCQCDPMPQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O3/c24-18-9-5-4-8-17(18)21-23(30-22(27-21)14-6-2-1-3-7-14)26-20(29)12-15-10-11-16(25)13-19(15)28/h1-11,13,28H,12H2,(H,26,29).
What are the key properties of N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide?
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide has a molecular weight of 422.84 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 139917923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).