5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one

C14H14N2O3 — CID 99793336

IUPAC5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESCc1cc(CNc2ccc3oc(=O)[nH]c3c2)c(C)o1
InChIInChI=1S/C14H14N2O3/c1-8-5-10(9(2)18-8)7-15-11-3-4-13-12(6-11)16-14(17)19-13/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyOBXIYBLXPQHCLX-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.94
Rot. Bonds3

About 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one

5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 99793336) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID99793336
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESCc1cc(CNc2ccc3oc(=O)[nH]c3c2)c(C)o1
InChIInChI=1S/C14H14N2O3/c1-8-5-10(9(2)18-8)7-15-11-3-4-13-12(6-11)16-14(17)19-13/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyOBXIYBLXPQHCLX-UHFFFAOYSA-N
XLogP2.94
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one (CID 99793336) is 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one is Cc1cc(CNc2ccc3oc(=O)[nH]c3c2)c(C)o1.
What is the InChIKey of 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is OBXIYBLXPQHCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-5-10(9(2)18-8)7-15-11-3-4-13-12(6-11)16-14(17)19-13/h3-6,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one?
5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 258.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 99793336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).