2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide

C15H16F2N2O4 — CID 86822451

IUPAC2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nc(C)c(C)o2)c1OC(F)F
InChIInChI=1S/C15H16F2N2O4/c1-8-9(2)22-12(19-8)7-18-14(20)10-5-4-6-11(21-3)13(10)23-15(16)17/h4-6,15H,7H2,1-3H3,(H,18,20)
InChIKeyDBPGNWXDOXPUQH-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.83
Rot. Bonds6

About 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide

2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide (PubChem CID 86822451) has the molecular formula C15H16F2N2O4 and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
PubChem CID86822451
Molecular FormulaC15H16F2N2O4
Molecular Weight326.30 g/mol
Exact Mass326.11
IUPAC Name2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nc(C)c(C)o2)c1OC(F)F
InChIInChI=1S/C15H16F2N2O4/c1-8-9(2)22-12(19-8)7-18-14(20)10-5-4-6-11(21-3)13(10)23-15(16)17/h4-6,15H,7H2,1-3H3,(H,18,20)
InChIKeyDBPGNWXDOXPUQH-UHFFFAOYSA-N
XLogP2.83
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368813
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-indole-4-carboxamide
CID 103721276
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 134022135
3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 103598301

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide (CID 86822451) is 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2nc(C)c(C)o2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide?
The InChIKey is DBPGNWXDOXPUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4/c1-8-9(2)22-12(19-8)7-18-14(20)10-5-4-6-11(21-3)13(10)23-15(16)17/h4-6,15H,7H2,1-3H3,(H,18,20).
What are the key properties of 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide?
2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide has a molecular weight of 326.30 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 86822451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).