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

C13H11NO3 — CID 22729011

IUPAC5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole
SMILESCOc1cccc2oc(-c3cc(C)no3)cc12
InChIInChI=1S/C13H11NO3/c1-8-6-13(17-14-8)12-7-9-10(15-2)4-3-5-11(9)16-12/h3-7H,1-2H3
InChIKeyGOUPKCXKEOPGJN-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.40
Rot. Bonds2

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

5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole (PubChem CID 22729011) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole
PubChem CID22729011
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole
SMILESCOc1cccc2oc(-c3cc(C)no3)cc12
InChIInChI=1S/C13H11NO3/c1-8-6-13(17-14-8)12-7-9-10(15-2)4-3-5-11(9)16-12/h3-7H,1-2H3
InChIKeyGOUPKCXKEOPGJN-UHFFFAOYSA-N
XLogP3.40
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
CID 122146031
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
5-(4-methoxy-1-benzofuran-2-yl)-1-methylpyrazol-4-amine
CID 115109758
5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-1,2-oxazole
CID 99964755
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole
CID 116869004
5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 166023711
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
CID 116868995
3-chloro-5-methoxychromen-2-one
CID 165356903
5-(7-methoxy-1-benzofuran-2-yl)-1,2-oxazol-3-amine
CID 71480898
1,2-bis(5-methoxy-2-oxochromen-3-yl)ethane-1,2-dione
CID 87234772

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole (CID 22729011) is 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole is COc1cccc2oc(-c3cc(C)no3)cc12.
What is the InChIKey of 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole?
The InChIKey is GOUPKCXKEOPGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-8-6-13(17-14-8)12-7-9-10(15-2)4-3-5-11(9)16-12/h3-7H,1-2H3.
What are the key properties of 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole?
5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole has a molecular weight of 229.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-1-benzofuran-2-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 22729011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).