N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide

C22H23F2N3O4 — CID 25142023

IUPACN-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OCC(C)C)c2)n1
InChIInChI=1S/C22H23F2N3O4/c1-13(2)11-29-18-9-15(6-7-17(18)31-22(23)24)21-27-16(12-30-21)10-26-20(28)19-14(3)5-4-8-25-19/h4-9,12-13,22H,10-11H2,1-3H3,(H,26,28)
InChIKeyCZMBOKSRQLKALJ-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.61
Rot. Bonds9

About N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide

N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 25142023) has the molecular formula C22H23F2N3O4 and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID25142023
Molecular FormulaC22H23F2N3O4
Molecular Weight431.44 g/mol
Exact Mass431.17
IUPAC NameN-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OCC(C)C)c2)n1
InChIInChI=1S/C22H23F2N3O4/c1-13(2)11-29-18-9-15(6-7-17(18)31-22(23)24)21-27-16(12-30-21)10-26-20(28)19-14(3)5-4-8-25-19/h4-9,12-13,22H,10-11H2,1-3H3,(H,26,28)
InChIKeyCZMBOKSRQLKALJ-UHFFFAOYSA-N
XLogP4.61
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide (CID 25142023) is N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OCC(C)C)c2)n1.
What is the InChIKey of N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is CZMBOKSRQLKALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4/c1-13(2)11-29-18-9-15(6-7-17(18)31-22(23)24)21-27-16(12-30-21)10-26-20(28)19-14(3)5-4-8-25-19/h4-9,12-13,22H,10-11H2,1-3H3,(H,26,28).
What are the key properties of N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide?
N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(difluoromethoxy)-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 25142023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).