2-(furan-2-yl)-1,3-benzoxazol-6-amine

C11H8N2O2 — CID 43117917

IUPAC2-(furan-2-yl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(-c3ccco3)oc2c1
InChIInChI=1S/C11H8N2O2/c12-7-3-4-8-10(6-7)15-11(13-8)9-2-1-5-14-9/h1-6H,12H2
InChIKeyGRGWURKBLCMONT-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.67
Rot. Bonds1

About 2-(furan-2-yl)-1,3-benzoxazol-6-amine

2-(furan-2-yl)-1,3-benzoxazol-6-amine (PubChem CID 43117917) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-benzoxazol-6-amine
PubChem CID43117917
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-(furan-2-yl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(-c3ccco3)oc2c1
InChIInChI=1S/C11H8N2O2/c12-7-3-4-8-10(6-7)15-11(13-8)9-2-1-5-14-9/h1-6H,12H2
InChIKeyGRGWURKBLCMONT-UHFFFAOYSA-N
XLogP2.67
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(furan-2-yl)-1,3-benzoxazol-6-yl]methanamine
CID 82357432
2-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
CID 171115267
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
CID 113242136
2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine
CID 96611710
2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazol-6-amine
CID 100817959
3-(6-amino-1,3-benzoxazol-2-yl)benzamide
CID 95911825
2-(5-chlorothiophen-2-yl)-1,3-benzoxazol-6-amine
CID 62276683
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine
CID 65199108
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
CID 66120071
2-(4-fluoro-2-iodophenyl)-1,3-benzoxazol-6-amine
CID 114029281

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(furan-2-yl)-1,3-benzoxazol-6-amine (CID 43117917) is 2-(furan-2-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(furan-2-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(furan-2-yl)-1,3-benzoxazol-6-amine is Nc1ccc2nc(-c3ccco3)oc2c1.
What is the InChIKey of 2-(furan-2-yl)-1,3-benzoxazol-6-amine?
The InChIKey is GRGWURKBLCMONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-7-3-4-8-10(6-7)15-11(13-8)9-2-1-5-14-9/h1-6H,12H2.
What are the key properties of 2-(furan-2-yl)-1,3-benzoxazol-6-amine?
2-(furan-2-yl)-1,3-benzoxazol-6-amine has a molecular weight of 200.20 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 43117917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).