5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C17H18F2N2O4 — CID 90325752

IUPAC5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCc2cc(F)ccc2F)on1
InChIInChI=1S/C17H18F2N2O4/c18-13-1-2-15(19)12(5-13)9-24-10-14-6-16(21-25-14)17(22)20-7-11-3-4-23-8-11/h1-2,5-6,11H,3-4,7-10H2,(H,20,22)
InChIKeySZTGUDMVXFPCBD-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.44
Rot. Bonds7

About 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90325752) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90325752
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCc2cc(F)ccc2F)on1
InChIInChI=1S/C17H18F2N2O4/c18-13-1-2-15(19)12(5-13)9-24-10-14-6-16(21-25-14)17(22)20-7-11-3-4-23-8-11/h1-2,5-6,11H,3-4,7-10H2,(H,20,22)
InChIKeySZTGUDMVXFPCBD-UHFFFAOYSA-N
XLogP2.44
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-(4S,6S)-8-Methyl-6-((S)-3-methyl-2-((S)-2-((5-methyl-isoxazole-3-carbonyl)-amino)-propionylamino)-butyrylamino)-5-oxo-4-((R)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic acid benzyl ester
CID 6323191
ethyl (2E,4S)-4-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamido]propanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 6476897
(1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-propionylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
CID 6477670
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
4-{2-(4-Fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-YL)-pentanoic acid ethyl ester
CID 6323208
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24791199
N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962283
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3236125
5-(4-fluorophenyl)-N-(2-morpholinoethyl)isoxazole-3-carboxamide
CID 3236843
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)isoxazole-3-carboxamide
CID 3243233

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90325752) is 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(COCc2cc(F)ccc2F)on1.
What is the InChIKey of 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SZTGUDMVXFPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c18-13-1-2-15(19)12(5-13)9-24-10-14-6-16(21-25-14)17(22)20-7-11-3-4-23-8-11/h1-2,5-6,11H,3-4,7-10H2,(H,20,22).
What are the key properties of 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).