5-(4-butoxyphenyl)-3-methyl-1,2-oxazole

C14H17NO2 — CID 11253245

IUPAC5-(4-butoxyphenyl)-3-methyl-1,2-oxazole
SMILESCCCCOc1ccc(-c2cc(C)no2)cc1
InChIInChI=1S/C14H17NO2/c1-3-4-9-16-13-7-5-12(6-8-13)14-10-11(2)15-17-14/h5-8,10H,3-4,9H2,1-2H3
InChIKeyXEKAEMQSBUSNIO-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.83
Rot. Bonds5

About 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole

5-(4-butoxyphenyl)-3-methyl-1,2-oxazole (PubChem CID 11253245) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-3-methyl-1,2-oxazole
PubChem CID11253245
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-(4-butoxyphenyl)-3-methyl-1,2-oxazole
SMILESCCCCOc1ccc(-c2cc(C)no2)cc1
InChIInChI=1S/C14H17NO2/c1-3-4-9-16-13-7-5-12(6-8-13)14-10-11(2)15-17-14/h5-8,10H,3-4,9H2,1-2H3
InChIKeyXEKAEMQSBUSNIO-UHFFFAOYSA-N
XLogP3.83
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Disoxaril
CID 55717
3-Methyl-5-phenylisoxazole
CID 136804
5-(4-Methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090978
Win 52035
CID 1786
Win 56590
CID 3082640
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
Methyl 5-(4-methoxyphenyl)-3-isoxazolecarboxylate
CID 752781
5-(4-Methoxyphenyl)isoxazole
CID 2736756
Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 1790
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-methylphenoxy)pentyl)-3-methyl-
CID 5271219
Benzenamine, 5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)-
CID 5271224
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(trifluoromethyl)phenoxy)pentyl)-3-methyl-
CID 5271225

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole (CID 11253245) is 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole is CCCCOc1ccc(-c2cc(C)no2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole?
The InChIKey is XEKAEMQSBUSNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-4-9-16-13-7-5-12(6-8-13)14-10-11(2)15-17-14/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole?
5-(4-butoxyphenyl)-3-methyl-1,2-oxazole has a molecular weight of 231.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 11253245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).