N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

C19H15ClF2N2O3 — CID 42567502

IUPACN-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C19H15ClF2N2O3/c20-13-4-1-3-12(9-13)7-8-23-19(25)17-10-14(27-24-17)11-26-18-15(21)5-2-6-16(18)22/h1-6,9-10H,7-8,11H2,(H,23,25)
InChIKeyFQYDNTNOPJDAQX-UHFFFAOYSA-N
MW392.79 g/mol
LogP4.16
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42567502) has the molecular formula C19H15ClF2N2O3 and a molecular weight of 392.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID42567502
Molecular FormulaC19H15ClF2N2O3
Molecular Weight392.79 g/mol
Exact Mass392.07
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C19H15ClF2N2O3/c20-13-4-1-3-12(9-13)7-8-23-19(25)17-10-14(27-24-17)11-26-18-15(21)5-2-6-16(18)22/h1-6,9-10H,7-8,11H2,(H,23,25)
InChIKeyFQYDNTNOPJDAQX-UHFFFAOYSA-N
XLogP4.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56701087
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 29183509
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119499822
5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42465328
5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 24819346
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 57383727

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 42567502) is N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FQYDNTNOPJDAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O3/c20-13-4-1-3-12(9-13)7-8-23-19(25)17-10-14(27-24-17)11-26-18-15(21)5-2-6-16(18)22/h1-6,9-10H,7-8,11H2,(H,23,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.79 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42567502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).