methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate

C22H21F2N3O6 — CID 175553169

IUPACmethyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCc2coc(-c3ccc(OC(F)F)c(OC(C)C)c3)n2)n1
InChIInChI=1S/C22H21F2N3O6/c1-12(2)32-18-9-13(7-8-17(18)33-22(23)24)20-26-14(11-31-20)10-25-19(28)15-5-4-6-16(27-15)21(29)30-3/h4-9,11-12,22H,10H2,1-3H3,(H,25,28)
InChIKeyVQFWSHKNXGBUDR-UHFFFAOYSA-N
MW461.42 g/mol
LogP3.84
Rot. Bonds9

About methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate

methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate (PubChem CID 175553169) has the molecular formula C22H21F2N3O6 and a molecular weight of 461.42 g/mol. Its IUPAC name is methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
PubChem CID175553169
Molecular FormulaC22H21F2N3O6
Molecular Weight461.42 g/mol
Exact Mass461.14
IUPAC Namemethyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCc2coc(-c3ccc(OC(F)F)c(OC(C)C)c3)n2)n1
InChIInChI=1S/C22H21F2N3O6/c1-12(2)32-18-9-13(7-8-17(18)33-22(23)24)20-26-14(11-31-20)10-25-19(28)15-5-4-6-16(27-15)21(29)30-3/h4-9,11-12,22H,10H2,1-3H3,(H,25,28)
InChIKeyVQFWSHKNXGBUDR-UHFFFAOYSA-N
XLogP3.84
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate with MolForge

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Related Compounds

N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-6-hydroxybenzamide
CID 130176541
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
CID 130176543
[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate
CID 122387469
1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
CID 143566351
methyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 175497796
2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide
CID 175553183
propyl 6-[[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 175497821
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68982000
6-[[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 175161027
5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
CID 175553150
3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
CID 68984760
propyl 6-[[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 175497819

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate (CID 175553169) is methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NCc2coc(-c3ccc(OC(F)F)c(OC(C)C)c3)n2)n1.
What is the InChIKey of methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is VQFWSHKNXGBUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O6/c1-12(2)32-18-9-13(7-8-17(18)33-22(23)24)20-26-14(11-31-20)10-25-19(28)15-5-4-6-16(27-15)21(29)30-3/h4-9,11-12,22H,10H2,1-3H3,(H,25,28).
What are the key properties of methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate?
methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 461.42 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 175553169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).