4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol

C12H12N2O3 — CID 137007271

IUPAC4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCc1cc2c(c(-c3cc(N)on3)c1O)CCO2
InChIInChI=1S/C12H12N2O3/c1-6-4-9-7(2-3-16-9)11(12(6)15)8-5-10(13)17-14-8/h4-5,15H,2-3,13H2,1H3
InChIKeyKHNMHDDYVNOTLK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.87
Rot. Bonds1

About 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol

4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 137007271) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID137007271
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCc1cc2c(c(-c3cc(N)on3)c1O)CCO2
InChIInChI=1S/C12H12N2O3/c1-6-4-9-7(2-3-16-9)11(12(6)15)8-5-10(13)17-14-8/h4-5,15H,2-3,13H2,1H3
InChIKeyKHNMHDDYVNOTLK-UHFFFAOYSA-N
XLogP1.87
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-amino-1,2-oxazol-3-yl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136942211
5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136992021
3-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117439841
3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine
CID 117438070
6-(5-amino-1,2-oxazol-3-yl)-8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 136995197
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
CID 136931070
3-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117420567
6-(5-amino-1,2-oxazol-3-yl)-2-fluoro-3-methylphenol
CID 136998707
2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 137007240
4-(5-amino-1,2-oxazol-3-yl)-3-methylphenol
CID 137012596
4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 136931065
2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117297221

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol (CID 137007271) is 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol is Cc1cc2c(c(-c3cc(N)on3)c1O)CCO2.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is KHNMHDDYVNOTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6-4-9-7(2-3-16-9)11(12(6)15)8-5-10(13)17-14-8/h4-5,15H,2-3,13H2,1H3.
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol?
4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 232.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 137007271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).