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

C18H13Cl2FN2O3 — CID 19492520

IUPACN-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1COc1cccc(F)c1
InChIInChI=1S/C18H13Cl2FN2O3/c1-10-14(9-25-13-4-2-3-11(21)7-13)17(23-26-10)18(24)22-12-5-6-15(19)16(20)8-12/h2-8H,9H2,1H3,(H,22,24)
InChIKeyOUVRNVFJNGHXMA-UHFFFAOYSA-N
MW395.22 g/mol
LogP5.26
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19492520) has the molecular formula C18H13Cl2FN2O3 and a molecular weight of 395.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19492520
Molecular FormulaC18H13Cl2FN2O3
Molecular Weight395.22 g/mol
Exact Mass394.03
IUPAC NameN-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1COc1cccc(F)c1
InChIInChI=1S/C18H13Cl2FN2O3/c1-10-14(9-25-13-4-2-3-11(21)7-13)17(23-26-10)18(24)22-12-5-6-15(19)16(20)8-12/h2-8H,9H2,1H3,(H,22,24)
InChIKeyOUVRNVFJNGHXMA-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

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492489
N-(3,4-dichlorophenyl)-4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483868
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488191
N-(3-fluoro-4-methylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488236
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492737
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492523
N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488250
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238
4-[(3-fluorophenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19492552
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488483
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19492520) is N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1COc1cccc(F)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is OUVRNVFJNGHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O3/c1-10-14(9-25-13-4-2-3-11(21)7-13)17(23-26-10)18(24)22-12-5-6-15(19)16(20)8-12/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(3,4-dichlorophenyl)-4-[(3-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-(3,4-dichlorophenyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19492520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).