N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide

C21H15F2N3O3 — CID 86764413

IUPACN-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cn1)oc(=O)n2C
InChIInChI=1S/C21H15F2N3O3/c1-11-8-17-18(29-21(28)26(17)2)9-13(11)16-7-6-12(10-24-16)25-20(27)19-14(22)4-3-5-15(19)23/h3-10H,1-2H3,(H,25,27)
InChIKeyFHZTTZADIDIZGG-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.03
Rot. Bonds3

About N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide

N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide (PubChem CID 86764413) has the molecular formula C21H15F2N3O3 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
PubChem CID86764413
Molecular FormulaC21H15F2N3O3
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC NameN-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cn1)oc(=O)n2C
InChIInChI=1S/C21H15F2N3O3/c1-11-8-17-18(29-21(28)26(17)2)9-13(11)16-7-6-12(10-24-16)25-20(27)19-14(22)4-3-5-15(19)23/h3-10H,1-2H3,(H,25,27)
InChIKeyFHZTTZADIDIZGG-UHFFFAOYSA-N
XLogP4.03
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
N-[6-(7-cyclopropyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763752
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
N-[6-(7-ethyl-3-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763409
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
CID 24775811
N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 86764080
2,6-difluoro-N-[6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
CID 71812186
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 86881850
N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide
CID 86763757
2,6-difluoro-N-[6-(8-methylspiro[chromene-2,1'-cyclobutane]-4-yl)-3-pyridinyl]benzamide
CID 87056739
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 154833789
N-(6-bromo-3-pyridinyl)-2,6-difluorobenzamide;2,6-difluoro-N-[6-(2,2,6-trimethyl-4-oxo-3H-chromen-7-yl)-3-pyridinyl]benzamide;2,2,6-trimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-chromen-4-one
CID 158271183

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide (CID 86764413) is N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cn1)oc(=O)n2C.
What is the InChIKey of N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is FHZTTZADIDIZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3/c1-11-8-17-18(29-21(28)26(17)2)9-13(11)16-7-6-12(10-24-16)25-20(27)19-14(22)4-3-5-15(19)23/h3-10H,1-2H3,(H,25,27).
What are the key properties of N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide?
N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 395.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 86764413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).