6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one

C15H16N2O3 — CID 65151595

IUPAC6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCc1oc(C)c(C(N)c2ccc3[nH]c(=O)oc3c2)c1C
InChIInChI=1S/C15H16N2O3/c1-7-8(2)19-9(3)13(7)14(16)10-4-5-11-12(6-10)20-15(18)17-11/h4-6,14H,16H2,1-3H3,(H,17,18)
InChIKeyGENURYRWTYPDSX-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.69
Rot. Bonds2

About 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one

6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 65151595) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID65151595
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCc1oc(C)c(C(N)c2ccc3[nH]c(=O)oc3c2)c1C
InChIInChI=1S/C15H16N2O3/c1-7-8(2)19-9(3)13(7)14(16)10-4-5-11-12(6-10)20-15(18)17-11/h4-6,14H,16H2,1-3H3,(H,17,18)
InChIKeyGENURYRWTYPDSX-UHFFFAOYSA-N
XLogP2.69
TPSA85.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[amino-(2,6-difluoro-3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 82797093
6-[amino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114819848
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-[amino-(4,5-dimethylthiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 65237791
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
6-[amino-(3-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140007
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
6-[amino-(2-bromophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43322363
6-[amino-(3-fluoro-4-methoxyphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 62918869
6-[1-amino-2-methyl-2-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116938938
6-[amino-(3-chlorothiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 80643902

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one (CID 65151595) is 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one is Cc1oc(C)c(C(N)c2ccc3[nH]c(=O)oc3c2)c1C.
What is the InChIKey of 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is GENURYRWTYPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-7-8(2)19-9(3)13(7)14(16)10-4-5-11-12(6-10)20-15(18)17-11/h4-6,14H,16H2,1-3H3,(H,17,18).
What are the key properties of 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one?
6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 65151595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).