ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole

C12H21N3O — CID 142597143

IUPACethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole
SMILESCC.CN1C=CN(CCc2ccon2)CC1
InChIInChI=1S/C10H15N3O.C2H6/c1-12-5-7-13(8-6-12)4-2-10-3-9-14-11-10;1-2/h3,5,7,9H,2,4,6,8H2,1H3;1-2H3
InChIKeyPGKUBOQDGQEAIT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds3

About ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole

ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole (PubChem CID 142597143) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole
PubChem CID142597143
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole
SMILESCC.CN1C=CN(CCc2ccon2)CC1
InChIInChI=1S/C10H15N3O.C2H6/c1-12-5-7-13(8-6-12)4-2-10-3-9-14-11-10;1-2/h3,5,7,9H,2,4,6,8H2,1H3;1-2H3
InChIKeyPGKUBOQDGQEAIT-UHFFFAOYSA-N
XLogP1.96
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole?
The IUPAC name of ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole (CID 142597143) is ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole is CC.CN1C=CN(CCc2ccon2)CC1.
What is the InChIKey of ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole?
The InChIKey is PGKUBOQDGQEAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C2H6/c1-12-5-7-13(8-6-12)4-2-10-3-9-14-11-10;1-2/h3,5,7,9H,2,4,6,8H2,1H3;1-2H3.
What are the key properties of ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole?
ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole has a molecular weight of 223.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 142597143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).