methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate

C16H15NO4 — CID 114371184

IUPACmethyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2cc3ccccc3o2)oc1C(=O)OC
InChIInChI=1S/C16H15NO4/c1-3-6-11-14(16(18)19-2)21-15(17-11)13-9-10-7-4-5-8-12(10)20-13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyRAWRKRSKNCKSSH-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.83
Rot. Bonds4

About methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate

methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate (PubChem CID 114371184) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
PubChem CID114371184
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate
SMILESCCCc1nc(-c2cc3ccccc3o2)oc1C(=O)OC
InChIInChI=1S/C16H15NO4/c1-3-6-11-14(16(18)19-2)21-15(17-11)13-9-10-7-4-5-8-12(10)20-13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyRAWRKRSKNCKSSH-UHFFFAOYSA-N
XLogP3.83
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,4-dibromophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107942073
methyl 2-(2,5-dichlorophenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371068
methyl 2-(4-ethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371286
methyl 2-(4-fluoro-3-methoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371293
methyl 2-(1,3-diethylpyrazol-5-yl)-4-propyl-1,3-oxazole-5-carboxylate
CID 114371280
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270
methyl 3-amino-5-(1-benzofuran-2-yl)-4-ethylthiophene-2-carboxylate
CID 63398664
methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 103199790
methyl 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylate
CID 107003577
methyl 5-acetyl-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 106696043
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate (CID 114371184) is methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate is CCCc1nc(-c2cc3ccccc3o2)oc1C(=O)OC.
What is the InChIKey of methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate?
The InChIKey is RAWRKRSKNCKSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-3-6-11-14(16(18)19-2)21-15(17-11)13-9-10-7-4-5-8-12(10)20-13/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate?
methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzofuran-2-yl)-4-propyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).