2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine

C15H13N3O2 — CID 43651670

IUPAC2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1coc(-c2cnc(C3CNc4ccccc4O3)[nH]2)c1
InChIInChI=1S/C15H13N3O2/c1-2-5-13-10(4-1)16-9-14(20-13)15-17-8-11(18-15)12-6-3-7-19-12/h1-8,14,16H,9H2,(H,17,18)
InChIKeyZUHUPCMJJTYJMB-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.22
Rot. Bonds2

About 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine

2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 43651670) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID43651670
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1coc(-c2cnc(C3CNc4ccccc4O3)[nH]2)c1
InChIInChI=1S/C15H13N3O2/c1-2-5-13-10(4-1)16-9-14(20-13)15-17-8-11(18-15)12-6-3-7-19-12/h1-8,14,16H,9H2,(H,17,18)
InChIKeyZUHUPCMJJTYJMB-UHFFFAOYSA-N
XLogP3.22
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine (CID 43651670) is 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine is c1coc(-c2cnc(C3CNc4ccccc4O3)[nH]2)c1.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is ZUHUPCMJJTYJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-5-13-10(4-1)16-9-14(20-13)15-17-8-11(18-15)12-6-3-7-19-12/h1-8,14,16H,9H2,(H,17,18).
What are the key properties of 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine?
2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 267.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 43651670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).