N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine

C11H10N2O2 — CID 20564916

IUPACN-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1cc(NC2=NCCO2)c2ccoc2c1
InChIInChI=1S/C11H10N2O2/c1-2-9(13-11-12-5-7-15-11)8-4-6-14-10(8)3-1/h1-4,6H,5,7H2,(H,12,13)
InChIKeyNCYCJKCDJGDPBR-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.23
Rot. Bonds1

About N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine

N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 20564916) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID20564916
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1cc(NC2=NCCO2)c2ccoc2c1
InChIInChI=1S/C11H10N2O2/c1-2-9(13-11-12-5-7-15-11)8-4-6-14-10(8)3-1/h1-4,6H,5,7H2,(H,12,13)
InChIKeyNCYCJKCDJGDPBR-UHFFFAOYSA-N
XLogP2.23
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine (CID 20564916) is N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine is c1cc(NC2=NCCO2)c2ccoc2c1.
What is the InChIKey of N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is NCYCJKCDJGDPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-9(13-11-12-5-7-15-11)8-4-6-14-10(8)3-1/h1-4,6H,5,7H2,(H,12,13).
What are the key properties of N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 202.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-4-yl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 20564916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).