6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one

C13H11NO4 — CID 62300199

IUPAC6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(O)c3ccco3)ccc21
InChIInChI=1S/C13H11NO4/c1-14-9-5-4-8(7-11(9)18-13(14)16)12(15)10-3-2-6-17-10/h2-7,12,15H,1H3
InChIKeyFDJIJARTGXOWSR-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.81
Rot. Bonds2

About 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 62300199) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID62300199
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(O)c3ccco3)ccc21
InChIInChI=1S/C13H11NO4/c1-14-9-5-4-8(7-11(9)18-13(14)16)12(15)10-3-2-6-17-10/h2-7,12,15H,1H3
InChIKeyFDJIJARTGXOWSR-UHFFFAOYSA-N
XLogP1.81
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299846
6-[(5-chlorofuran-2-yl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 106688887
6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62298953
3-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-benzoxazol-2-one
CID 62298959
6-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299318
6-[(2,4-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600742
6-[(3-bromo-5-fluorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299494
6-[(3-bromothiophen-2-yl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 63796801
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
6-(1-hydroxy-2-propylpentyl)-3-methyl-1,3-benzoxazol-2-one
CID 82987811
6-(1-bromo-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62301096

Frequently Asked Questions

What is the IUPAC name of 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 62300199) is 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(O)c3ccco3)ccc21.
What is the InChIKey of 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is FDJIJARTGXOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-14-9-5-4-8(7-11(9)18-13(14)16)12(15)10-3-2-6-17-10/h2-7,12,15H,1H3.
What are the key properties of 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 245.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62300199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).