3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H16ClFN2O3 — CID 71890892

IUPAC3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-11-16(18(23-26-11)17-14(20)3-2-4-15(17)21)19(25)22-10-9-12-5-7-13(24)8-6-12/h2-8,24H,9-10H2,1H3,(H,22,25)
InChIKeyOESPZUDXIAXEPH-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.12
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71890892) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71890892
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-11-16(18(23-26-11)17-14(20)3-2-4-15(17)21)19(25)22-10-9-12-5-7-13(24)8-6-12/h2-8,24H,9-10H2,1H3,(H,22,25)
InChIKeyOESPZUDXIAXEPH-UHFFFAOYSA-N
XLogP4.12
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
3-(2-chloro-6-fluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 33305648
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35702435
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2-chloro-6-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9161472
3-(2-chloro-6-fluorophenyl)-N-[(3-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209822
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60516165
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 71890892) is 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OESPZUDXIAXEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-11-16(18(23-26-11)17-14(20)3-2-4-15(17)21)19(25)22-10-9-12-5-7-13(24)8-6-12/h2-8,24H,9-10H2,1H3,(H,22,25).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71890892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).