3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide

C18H13ClF2N2O3 — CID 72946293

IUPAC3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESCc1oc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF2N2O3/c1-9-17(10-2-4-11(19)5-3-10)23-14(26-9)8-25-13-7-6-12(20)15(16(13)21)18(22)24/h2-7H,8H2,1H3,(H2,22,24)
InChIKeyLJMXPSIXWLTNJN-UHFFFAOYSA-N
MW378.76 g/mol
LogP4.26
Rot. Bonds5

About 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide

3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide (PubChem CID 72946293) has the molecular formula C18H13ClF2N2O3 and a molecular weight of 378.76 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide
PubChem CID72946293
Molecular FormulaC18H13ClF2N2O3
Molecular Weight378.76 g/mol
Exact Mass378.06
IUPAC Name3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide
SMILESCc1oc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF2N2O3/c1-9-17(10-2-4-11(19)5-3-10)23-14(26-9)8-25-13-7-6-12(20)15(16(13)21)18(22)24/h2-7H,8H2,1H3,(H2,22,24)
InChIKeyLJMXPSIXWLTNJN-UHFFFAOYSA-N
XLogP4.26
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide (CID 72946293) is 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide is Cc1oc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide?
The InChIKey is LJMXPSIXWLTNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3/c1-9-17(10-2-4-11(19)5-3-10)23-14(26-9)8-25-13-7-6-12(20)15(16(13)21)18(22)24/h2-7H,8H2,1H3,(H2,22,24).
What are the key properties of 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide?
3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide has a molecular weight of 378.76 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)-5-methyl-1,3-oxazol-2-yl]methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 72946293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).