(2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone

C23H21NO4 — CID 10199471

IUPAC(2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone
SMILESCCCCc1oc2ccccc2c1C(=O)c1ncc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C23H21NO4/c1-3-4-8-19-21(17-7-5-6-9-18(17)27-19)22(25)23-24-14-20(28-23)15-10-12-16(26-2)13-11-15/h5-7,9-14H,3-4,8H2,1-2H3
InChIKeyMGFDJAMGLLKDTG-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.67
Rot. Bonds7

About (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone

(2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone (PubChem CID 10199471) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone.

Molecular Properties

Compound Name(2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone
PubChem CID10199471
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone
SMILESCCCCc1oc2ccccc2c1C(=O)c1ncc(-c2ccc(OC)cc2)o1
InChIInChI=1S/C23H21NO4/c1-3-4-8-19-21(17-7-5-6-9-18(17)27-19)22(25)23-24-14-20(28-23)15-10-12-16(26-2)13-11-15/h5-7,9-14H,3-4,8H2,1-2H3
InChIKeyMGFDJAMGLLKDTG-UHFFFAOYSA-N
XLogP5.67
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone?
The IUPAC name of (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone (CID 10199471) is (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone.
What is the SMILES notation for (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone?
The canonical SMILES for (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone is CCCCc1oc2ccccc2c1C(=O)c1ncc(-c2ccc(OC)cc2)o1.
What is the InChIKey of (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone?
The InChIKey is MGFDJAMGLLKDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-3-4-8-19-21(17-7-5-6-9-18(17)27-19)22(25)23-24-14-20(28-23)15-10-12-16(26-2)13-11-15/h5-7,9-14H,3-4,8H2,1-2H3.
What are the key properties of (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone?
(2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone has a molecular weight of 375.42 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone is sourced from PubChem (CID 10199471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).