ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole

C11H19N3O — CID 177230013

IUPACethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole
SMILESCC.CC.Cn1ccc(-c2ccon2)n1
InChIInChI=1S/C7H7N3O.2C2H6/c1-10-4-2-6(8-10)7-3-5-11-9-7;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyAVLXNKRGVRLQSD-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.13
Rot. Bonds1

About ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole

ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole (PubChem CID 177230013) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole
PubChem CID177230013
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Nameethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole
SMILESCC.CC.Cn1ccc(-c2ccon2)n1
InChIInChI=1S/C7H7N3O.2C2H6/c1-10-4-2-6(8-10)7-3-5-11-9-7;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyAVLXNKRGVRLQSD-UHFFFAOYSA-N
XLogP3.13
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole?
The IUPAC name of ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole (CID 177230013) is ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole.
What is the SMILES notation for ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole?
The canonical SMILES for ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole is CC.CC.Cn1ccc(-c2ccon2)n1.
What is the InChIKey of ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole?
The InChIKey is AVLXNKRGVRLQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.2C2H6/c1-10-4-2-6(8-10)7-3-5-11-9-7;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole?
ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole has a molecular weight of 209.29 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-methylpyrazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 177230013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).