2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide

C17H20F2N2O3 — CID 27532550

IUPAC2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C17H20F2N2O3/c1-11(2)23-7-3-6-20-17(22)10-13-9-16(24-21-13)14-5-4-12(18)8-15(14)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,22)
InChIKeyNGPXZEDNAKALBQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.09
Rot. Bonds8

About 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 27532550) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID27532550
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C17H20F2N2O3/c1-11(2)23-7-3-6-20-17(22)10-13-9-16(24-21-13)14-5-4-12(18)8-15(14)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,22)
InChIKeyNGPXZEDNAKALBQ-UHFFFAOYSA-N
XLogP3.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 27532550) is 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)Cc1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is NGPXZEDNAKALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-11(2)23-7-3-6-20-17(22)10-13-9-16(24-21-13)14-5-4-12(18)8-15(14)19/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,22).
What are the key properties of 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 338.35 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 27532550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).