2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole

C16H21NO2 — CID 56676235

IUPAC2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole
SMILESCCCCc1ccc(-c2nc(COCC)co2)cc1
InChIInChI=1S/C16H21NO2/c1-3-5-6-13-7-9-14(10-8-13)16-17-15(12-19-16)11-18-4-2/h7-10,12H,3-6,11H2,1-2H3
InChIKeyGTZSZSGJRSXWJH-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.22
Rot. Bonds7

About 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole

2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole (PubChem CID 56676235) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole
PubChem CID56676235
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole
SMILESCCCCc1ccc(-c2nc(COCC)co2)cc1
InChIInChI=1S/C16H21NO2/c1-3-5-6-13-7-9-14(10-8-13)16-17-15(12-19-16)11-18-4-2/h7-10,12H,3-6,11H2,1-2H3
InChIKeyGTZSZSGJRSXWJH-UHFFFAOYSA-N
XLogP4.22
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole
CID 138394724
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Diphenyloxazole
CID 168750
2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
2-Phenyl-4-oxazolecarboxamide
CID 604678
Ave-8134
CID 11625114
2-(2-Phenyl-1,3-oxazol-4-yl)acetic acid
CID 7131950
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261
2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10194571

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole?
The IUPAC name of 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole (CID 56676235) is 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole is CCCCc1ccc(-c2nc(COCC)co2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole?
The InChIKey is GTZSZSGJRSXWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-5-6-13-7-9-14(10-8-13)16-17-15(12-19-16)11-18-4-2/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole?
2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole has a molecular weight of 259.35 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-4-(ethoxymethyl)-1,3-oxazole is sourced from PubChem (CID 56676235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).