N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide

C18H14F2N2O4 — CID 110402678

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C18H14F2N2O4/c1-24-15-6-4-10(8-16(15)25-2)12-9-21-26-18(12)22-17(23)11-3-5-13(19)14(20)7-11/h3-9H,1-2H3,(H,22,23)
InChIKeyWMENLKOLFIYIIO-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide

N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide (PubChem CID 110402678) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide
PubChem CID110402678
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide
SMILESCOc1ccc(-c2cnoc2NC(=O)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C18H14F2N2O4/c1-24-15-6-4-10(8-16(15)25-2)12-9-21-26-18(12)22-17(23)11-3-5-13(19)14(20)7-11/h3-9H,1-2H3,(H,22,23)
InChIKeyWMENLKOLFIYIIO-UHFFFAOYSA-N
XLogP3.89
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide (CID 110402678) is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide is COc1ccc(-c2cnoc2NC(=O)c2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide?
The InChIKey is WMENLKOLFIYIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c1-24-15-6-4-10(8-16(15)25-2)12-9-21-26-18(12)22-17(23)11-3-5-13(19)14(20)7-11/h3-9H,1-2H3,(H,22,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide?
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide has a molecular weight of 360.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 110402678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).