5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C18H15F2N3O3 — CID 42101255

IUPAC5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1
InChIInChI=1S/C18H15F2N3O3/c1-23(10-12-3-2-6-21-9-12)18(24)17-8-14(26-22-17)11-25-13-4-5-15(19)16(20)7-13/h2-9H,10-11H2,1H3
InChIKeyPXTGKCGWYLQHAU-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.20
Rot. Bonds6

About 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 42101255) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID42101255
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1
InChIInChI=1S/C18H15F2N3O3/c1-23(10-12-3-2-6-21-9-12)18(24)17-8-14(26-22-17)11-25-13-4-5-15(19)16(20)7-13/h2-9H,10-11H2,1H3
InChIKeyPXTGKCGWYLQHAU-UHFFFAOYSA-N
XLogP3.20
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42519824
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 56744732
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 24792979
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 56713647
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 87002102
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24793819
5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 24790241

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 42101255) is 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is CN(Cc1cccnc1)C(=O)c1cc(COc2ccc(F)c(F)c2)on1.
What is the InChIKey of 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PXTGKCGWYLQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-23(10-12-3-2-6-21-9-12)18(24)17-8-14(26-22-17)11-25-13-4-5-15(19)16(20)7-13/h2-9H,10-11H2,1H3.
What are the key properties of 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42101255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).