6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one

C14H15N3O3 — CID 115425285

IUPAC6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCCN(Cc1ccco1)c1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C14H15N3O3/c1-2-17(8-9-4-3-5-19-9)12-7-11-13(6-10(12)15)20-14(18)16-11/h3-7H,2,8,15H2,1H3,(H,16,18)
InChIKeyWSAHBHTWWMFMIP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.32
Rot. Bonds4

About 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one

6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115425285) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID115425285
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCCN(Cc1ccco1)c1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C14H15N3O3/c1-2-17(8-9-4-3-5-19-9)12-7-11-13(6-10(12)15)20-14(18)16-11/h3-7H,2,8,15H2,1H3,(H,16,18)
InChIKeyWSAHBHTWWMFMIP-UHFFFAOYSA-N
XLogP2.32
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one (CID 115425285) is 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one is CCN(Cc1ccco1)c1cc2[nH]c(=O)oc2cc1N.
What is the InChIKey of 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is WSAHBHTWWMFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-17(8-9-4-3-5-19-9)12-7-11-13(6-10(12)15)20-14(18)16-11/h3-7H,2,8,15H2,1H3,(H,16,18).
What are the key properties of 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).