2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide

C17H21FN2O3 — CID 111460664

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN2O3/c1-11(2)15(21)7-8-19-16(22)9-14-10-23-17(20-14)12-3-5-13(18)6-4-12/h3-6,10-11,15,21H,7-9H2,1-2H3,(H,19,22)
InChIKeyZBMMOONXFVVONW-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.55
Rot. Bonds7

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide (PubChem CID 111460664) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
PubChem CID111460664
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN2O3/c1-11(2)15(21)7-8-19-16(22)9-14-10-23-17(20-14)12-3-5-13(18)6-4-12/h3-6,10-11,15,21H,7-9H2,1-2H3,(H,19,22)
InChIKeyZBMMOONXFVVONW-UHFFFAOYSA-N
XLogP2.55
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide (CID 111460664) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide is CC(C)C(O)CCNC(=O)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide?
The InChIKey is ZBMMOONXFVVONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11(2)15(21)7-8-19-16(22)9-14-10-23-17(20-14)12-3-5-13(18)6-4-12/h3-6,10-11,15,21H,7-9H2,1-2H3,(H,19,22).
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide has a molecular weight of 320.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 111460664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).