methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate

C15H17NO3 — CID 154791681

IUPACmethyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
SMILESCCCCc1ccc(-c2cc(C(=O)OC)no2)cc1
InChIInChI=1S/C15H17NO3/c1-3-4-5-11-6-8-12(9-7-11)14-10-13(16-19-14)15(17)18-2/h6-10H,3-5H2,1-2H3
InChIKeyZMVJENGLQRALLI-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.47
Rot. Bonds5

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

methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 154791681) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
PubChem CID154791681
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
SMILESCCCCc1ccc(-c2cc(C(=O)OC)no2)cc1
InChIInChI=1S/C15H17NO3/c1-3-4-5-11-6-8-12(9-7-11)14-10-13(16-19-14)15(17)18-2/h6-10H,3-5H2,1-2H3
InChIKeyZMVJENGLQRALLI-UHFFFAOYSA-N
XLogP3.47
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904535
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
5-(4-butylphenyl)-3-methyl-1,2-oxazole
CID 169499000
methyl 5-(4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylate
CID 82627852
1-[4-[5-(4-butylphenyl)-1,2-oxazol-3-yl]phenyl]ethanone
CID 58428317
methyl 5-(3,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 154791625
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
methyl 6-butyl-4-methylquinoline-2-carboxylate
CID 82574615

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate (CID 154791681) is methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate is CCCCc1ccc(-c2cc(C(=O)OC)no2)cc1.
What is the InChIKey of methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is ZMVJENGLQRALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-4-5-11-6-8-12(9-7-11)14-10-13(16-19-14)15(17)18-2/h6-10H,3-5H2,1-2H3.
What are the key properties of methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate?
methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154791681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).