2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide

C20H18ClFN2O3 — CID 68506647

IUPAC2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cc1coc(-c2ccc(OCCCCl)cc2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C20H18ClFN2O3/c21-10-1-11-26-18-8-2-14(3-9-18)20-24-17(13-27-20)12-19(25)23-16-6-4-15(22)5-7-16/h2-9,13H,1,10-12H2,(H,23,25)
InChIKeyRQDZEWVQOAHLBV-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.67
Rot. Bonds8

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

2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 68506647) has the molecular formula C20H18ClFN2O3 and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID68506647
Molecular FormulaC20H18ClFN2O3
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC Name2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cc1coc(-c2ccc(OCCCCl)cc2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C20H18ClFN2O3/c21-10-1-11-26-18-8-2-14(3-9-18)20-24-17(13-27-20)12-19(25)23-16-6-4-15(22)5-7-16/h2-9,13H,1,10-12H2,(H,23,25)
InChIKeyRQDZEWVQOAHLBV-UHFFFAOYSA-N
XLogP4.67
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427929
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 55544759
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944
2-(4-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867028
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
2-(4-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835518
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide (CID 68506647) is 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide is O=C(Cc1coc(-c2ccc(OCCCCl)cc2)n1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is RQDZEWVQOAHLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3/c21-10-1-11-26-18-8-2-14(3-9-18)20-24-17(13-27-20)12-19(25)23-16-6-4-15(22)5-7-16/h2-9,13H,1,10-12H2,(H,23,25).
What are the key properties of 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide?
2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 388.83 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chloropropoxy)phenyl]-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 68506647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).