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

C17H20F2N2O4 — CID 26407043

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C17H20F2N2O4/c1-11(2)23-7-3-6-20-17(22)15-9-13(25-21-15)10-24-16-5-4-12(18)8-14(16)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,22)
InChIKeyAUVYAMKWXDIZPR-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.08
Rot. Bonds9

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

5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide (PubChem CID 26407043) has the molecular formula C17H20F2N2O4 and a molecular weight of 354.35 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
PubChem CID26407043
Molecular FormulaC17H20F2N2O4
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C17H20F2N2O4/c1-11(2)23-7-3-6-20-17(22)15-9-13(25-21-15)10-24-16-5-4-12(18)8-14(16)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,22)
InChIKeyAUVYAMKWXDIZPR-UHFFFAOYSA-N
XLogP3.08
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide (CID 26407043) is 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide is CC(C)OCCCNC(=O)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AUVYAMKWXDIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O4/c1-11(2)23-7-3-6-20-17(22)15-9-13(25-21-15)10-24-16-5-4-12(18)8-14(16)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,22).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 354.35 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26407043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).