2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide

C17H12F2N2O3 — CID 68520217

IUPAC2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1oc(-c2c(F)cccc2F)nc1C(N)=O
InChIInChI=1S/C17H12F2N2O3/c1-23-12-8-3-2-5-9(12)15-14(16(20)22)21-17(24-15)13-10(18)6-4-7-11(13)19/h2-8H,1H3,(H2,20,22)
InChIKeyPMFPVRUMJWSFJW-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.39
Rot. Bonds4

About 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 68520217) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID68520217
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1oc(-c2c(F)cccc2F)nc1C(N)=O
InChIInChI=1S/C17H12F2N2O3/c1-23-12-8-3-2-5-9(12)15-14(16(20)22)21-17(24-15)13-10(18)6-4-7-11(13)19/h2-8H,1H3,(H2,20,22)
InChIKeyPMFPVRUMJWSFJW-UHFFFAOYSA-N
XLogP3.39
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 68520217) is 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccccc1-c1oc(-c2c(F)cccc2F)nc1C(N)=O.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PMFPVRUMJWSFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-23-12-8-3-2-5-9(12)15-14(16(20)22)21-17(24-15)13-10(18)6-4-7-11(13)19/h2-8H,1H3,(H2,20,22).
What are the key properties of 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 68520217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).