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

C17H18F2N2O4 — CID 90326155

IUPAC5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCc2cc(F)cc(F)c2)on1
InChIInChI=1S/C17H18F2N2O4/c18-13-3-12(4-14(19)5-13)9-24-10-15-6-16(21-25-15)17(22)20-7-11-1-2-23-8-11/h3-6,11H,1-2,7-10H2,(H,20,22)
InChIKeyFCQQMRLFJFYNON-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.44
Rot. Bonds7

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

5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90326155) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90326155
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(COCc2cc(F)cc(F)c2)on1
InChIInChI=1S/C17H18F2N2O4/c18-13-3-12(4-14(19)5-13)9-24-10-15-6-16(21-25-15)17(22)20-7-11-1-2-23-8-11/h3-6,11H,1-2,7-10H2,(H,20,22)
InChIKeyFCQQMRLFJFYNON-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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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90326155) is 5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(COCc2cc(F)cc(F)c2)on1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FCQQMRLFJFYNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c18-13-3-12(4-14(19)5-13)9-24-10-15-6-16(21-25-15)17(22)20-7-11-1-2-23-8-11/h3-6,11H,1-2,7-10H2,(H,20,22).
What are the key properties of 5-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(3,5-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-[(3,5-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90326155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).