2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole

C6H7N3O — CID 57464635

IUPAC2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1c[nH]c(C2=NCCO2)n1
InChIInChI=1S/C6H7N3O/c1-2-8-5(7-1)6-9-3-4-10-6/h1-2H,3-4H2,(H,7,8)
InChIKeyKDTHAOHEAHZJBT-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.19
Rot. Bonds1

About 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole

2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 57464635) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID57464635
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1c[nH]c(C2=NCCO2)n1
InChIInChI=1S/C6H7N3O/c1-2-8-5(7-1)6-9-3-4-10-6/h1-2H,3-4H2,(H,7,8)
InChIKeyKDTHAOHEAHZJBT-UHFFFAOYSA-N
XLogP0.19
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole (CID 57464635) is 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole is c1c[nH]c(C2=NCCO2)n1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is KDTHAOHEAHZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-2-8-5(7-1)6-9-3-4-10-6/h1-2H,3-4H2,(H,7,8).
What are the key properties of 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole?
2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 137.14 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57464635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).