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

C16H17NO4 — CID 62300581

IUPAC6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(O)c3ccoc3C)ccc21
InChIInChI=1S/C16H17NO4/c1-3-7-17-13-5-4-11(9-14(13)21-16(17)19)15(18)12-6-8-20-10(12)2/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeyQMDKLAGEMMWUBX-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.99
Rot. Bonds4

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

6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one (PubChem CID 62300581) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
PubChem CID62300581
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(O)c3ccoc3C)ccc21
InChIInChI=1S/C16H17NO4/c1-3-7-17-13-5-4-11(9-14(13)21-16(17)19)15(18)12-6-8-20-10(12)2/h4-6,8-9,15,18H,3,7H2,1-2H3
InChIKeyQMDKLAGEMMWUBX-UHFFFAOYSA-N
XLogP2.99
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one (CID 62300581) is 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2cc(C(O)c3ccoc3C)ccc21.
What is the InChIKey of 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is QMDKLAGEMMWUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-7-17-13-5-4-11(9-14(13)21-16(17)19)15(18)12-6-8-20-10(12)2/h4-6,8-9,15,18H,3,7H2,1-2H3.
What are the key properties of 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one?
6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 287.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62300581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).