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

C15H16ClFN2O3 — CID 78855421

IUPAC3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C15H16ClFN2O3/c1-3-19(7-8-20)15(21)12-9(2)22-18-14(12)13-10(16)5-4-6-11(13)17/h4-6,20H,3,7-8H2,1-2H3
InChIKeyWKOFDLWBEFCCNS-UHFFFAOYSA-N
MW326.75 g/mol
LogP2.90
Rot. Bonds5

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

3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 78855421) has the molecular formula C15H16ClFN2O3 and a molecular weight of 326.75 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID78855421
Molecular FormulaC15H16ClFN2O3
Molecular Weight326.75 g/mol
Exact Mass326.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1c(-c2c(F)cccc2Cl)noc1C
InChIInChI=1S/C15H16ClFN2O3/c1-3-19(7-8-20)15(21)12-9(2)22-18-14(12)13-10(16)5-4-6-11(13)17/h4-6,20H,3,7-8H2,1-2H3
InChIKeyWKOFDLWBEFCCNS-UHFFFAOYSA-N
XLogP2.90
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-propyl-1,2-oxazole-4-carboxamide
CID 110887164
3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110886583
3-(2-chloro-6-fluorophenyl)-N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 31365657
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 34755281
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52705090
3-(2-chloro-6-fluorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2811851
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 78855421) is 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is CCN(CCO)C(=O)c1c(-c2c(F)cccc2Cl)noc1C.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WKOFDLWBEFCCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O3/c1-3-19(7-8-20)15(21)12-9(2)22-18-14(12)13-10(16)5-4-6-11(13)17/h4-6,20H,3,7-8H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 326.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 78855421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).