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

C18H16F2N2O3S — CID 56759947

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C18H16F2N2O3S/c1-11-6-7-26-16(11)9-22(2)18(23)15-8-12(25-21-15)10-24-17-13(19)4-3-5-14(17)20/h3-8H,9-10H2,1-2H3
InChIKeyWKCNOWJKNSKXNE-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.17
Rot. Bonds6

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

5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56759947) has the molecular formula C18H16F2N2O3S and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID56759947
Molecular FormulaC18H16F2N2O3S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C18H16F2N2O3S/c1-11-6-7-26-16(11)9-22(2)18(23)15-8-12(25-21-15)10-24-17-13(19)4-3-5-14(17)20/h3-8H,9-10H2,1-2H3
InChIKeyWKCNOWJKNSKXNE-UHFFFAOYSA-N
XLogP4.17
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 56759947) is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccsc1CN(C)C(=O)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WKCNOWJKNSKXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3S/c1-11-6-7-26-16(11)9-22(2)18(23)15-8-12(25-21-15)10-24-17-13(19)4-3-5-14(17)20/h3-8H,9-10H2,1-2H3.
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56759947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).