[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol

C14H15NO4 — CID 115349668

IUPAC[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol
SMILESCOc1cc2c(cc1-c1cc(CO)on1)OC(C)C2
InChIInChI=1S/C14H15NO4/c1-8-3-9-4-14(17-2)11(6-13(9)18-8)12-5-10(7-16)19-15-12/h4-6,8,16H,3,7H2,1-2H3
InChIKeyFSVFPIBIQRPQCU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.17
Rot. Bonds3

About [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol

[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol (PubChem CID 115349668) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol
PubChem CID115349668
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol
SMILESCOc1cc2c(cc1-c1cc(CO)on1)OC(C)C2
InChIInChI=1S/C14H15NO4/c1-8-3-9-4-14(17-2)11(6-13(9)18-8)12-5-10(7-16)19-15-12/h4-6,8,16H,3,7H2,1-2H3
InChIKeyFSVFPIBIQRPQCU-UHFFFAOYSA-N
XLogP2.17
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine
CID 115349486
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115349479
4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine
CID 115349516
3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2,4-thiadiazol-5-amine
CID 113291877
2-ethyl-5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
CID 115349587
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
CID 115349578
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate
CID 115349493
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115349548
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid
CID 115349494
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine
CID 115349585
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670

Frequently Asked Questions

What is the IUPAC name of [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol (CID 115349668) is [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol is COc1cc2c(cc1-c1cc(CO)on1)OC(C)C2.
What is the InChIKey of [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol?
The InChIKey is FSVFPIBIQRPQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-3-9-4-14(17-2)11(6-13(9)18-8)12-5-10(7-16)19-15-12/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol?
[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol has a molecular weight of 261.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 115349668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).