2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

C20H18ClFN2O3 — CID 56703946

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2coc(COc3ccc(F)cc3Cl)n2)cc1
InChIInChI=1S/C20H18ClFN2O3/c1-13-3-5-14(6-4-13)10-24(2)20(25)17-11-27-19(23-17)12-26-18-8-7-15(22)9-16(18)21/h3-9,11H,10,12H2,1-2H3
InChIKeyRDNYWKDIGZEERM-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.63
Rot. Bonds6

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

2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56703946) has the molecular formula C20H18ClFN2O3 and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID56703946
Molecular FormulaC20H18ClFN2O3
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2coc(COc3ccc(F)cc3Cl)n2)cc1
InChIInChI=1S/C20H18ClFN2O3/c1-13-3-5-14(6-4-13)10-24(2)20(25)17-11-27-19(23-17)12-26-18-8-7-15(22)9-16(18)21/h3-9,11H,10,12H2,1-2H3
InChIKeyRDNYWKDIGZEERM-UHFFFAOYSA-N
XLogP4.63
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 56703946) is 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2coc(COc3ccc(F)cc3Cl)n2)cc1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RDNYWKDIGZEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3/c1-13-3-5-14(6-4-13)10-24(2)20(25)17-11-27-19(23-17)12-26-18-8-7-15(22)9-16(18)21/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 388.83 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56703946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).