ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

C13H16N2O — CID 145164701

IUPACethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
SMILESCC.c1ccc(-c2cc3n(n2)CCO3)cc1
InChIInChI=1S/C11H10N2O.C2H6/c1-2-4-9(5-3-1)10-8-11-13(12-10)6-7-14-11;1-2/h1-5,8H,6-7H2;1-2H3
InChIKeySKKOULRRNMWFPJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.97
Rot. Bonds1

About ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole (PubChem CID 145164701) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Nameethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
PubChem CID145164701
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Nameethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
SMILESCC.c1ccc(-c2cc3n(n2)CCO3)cc1
InChIInChI=1S/C11H10N2O.C2H6/c1-2-4-9(5-3-1)10-8-11-13(12-10)6-7-14-11;1-2/h1-5,8H,6-7H2;1-2H3
InChIKeySKKOULRRNMWFPJ-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole (CID 145164701) is ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole is CC.c1ccc(-c2cc3n(n2)CCO3)cc1.
What is the InChIKey of ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The InChIKey is SKKOULRRNMWFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.C2H6/c1-2-4-9(5-3-1)10-8-11-13(12-10)6-7-14-11;1-2/h1-5,8H,6-7H2;1-2H3.
What are the key properties of ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole has a molecular weight of 216.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-phenyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 145164701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).