N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide

C20H12F2N2O4 — CID 27567867

IUPACN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H12F2N2O4/c21-11-5-6-13(15(22)7-11)18-8-12(24-28-18)10-23-20(26)19-9-16(25)14-3-1-2-4-17(14)27-19/h1-9H,10H2,(H,23,26)
InChIKeyMZNXLYRKBKFONT-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.66
Rot. Bonds4

About N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide

N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 27567867) has the molecular formula C20H12F2N2O4 and a molecular weight of 382.32 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide
PubChem CID27567867
Molecular FormulaC20H12F2N2O4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H12F2N2O4/c21-11-5-6-13(15(22)7-11)18-8-12(24-28-18)10-23-20(26)19-9-16(25)14-3-1-2-4-17(14)27-19/h1-9H,10H2,(H,23,26)
InChIKeyMZNXLYRKBKFONT-UHFFFAOYSA-N
XLogP3.66
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide
CID 16867578
2-(1,2-benzoxazol-3-yl)-N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497823
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 27370099
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30850480
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27567898
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 27555557
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 167797599
N-[3-(4-fluorophenyl)prop-2-ynyl]-4-oxochromene-2-carboxamide
CID 90548226
4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
CID 121195822
N-[(6-hydroxyimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 170391703
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide (CID 27567867) is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide is O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is MZNXLYRKBKFONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O4/c21-11-5-6-13(15(22)7-11)18-8-12(24-28-18)10-23-20(26)19-9-16(25)14-3-1-2-4-17(14)27-19/h1-9H,10H2,(H,23,26).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide?
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 382.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 27567867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).