N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C18H13Cl2FN2O3 — CID 19445238

IUPACN-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1COc1ccc(F)cc1
InChIInChI=1S/C18H13Cl2FN2O3/c1-10-16(9-25-15-4-2-13(21)3-5-15)17(23-26-10)18(24)22-14-7-11(19)6-12(20)8-14/h2-8H,9H2,1H3,(H,22,24)
InChIKeyILOKIDUKCKRPER-UHFFFAOYSA-N
MW395.22 g/mol
LogP5.26
Rot. Bonds5

About N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19445238) has the molecular formula C18H13Cl2FN2O3 and a molecular weight of 395.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19445238
Molecular FormulaC18H13Cl2FN2O3
Molecular Weight395.22 g/mol
Exact Mass394.03
IUPAC NameN-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1COc1ccc(F)cc1
InChIInChI=1S/C18H13Cl2FN2O3/c1-10-16(9-25-15-4-2-13(21)3-5-15)17(23-26-10)18(24)22-14-7-11(19)6-12(20)8-14/h2-8H,9H2,1H3,(H,22,24)
InChIKeyILOKIDUKCKRPER-UHFFFAOYSA-N
XLogP5.26
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.22
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-(2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443644
N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445278
N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445305
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 19445338
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19445250
N-(3,4-difluorophenyl)-4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444531
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492520
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445428
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19445238) is N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1COc1ccc(F)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ILOKIDUKCKRPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O3/c1-10-16(9-25-15-4-2-13(21)3-5-15)17(23-26-10)18(24)22-14-7-11(19)6-12(20)8-14/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 395.22 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).