bis(4,5-dihydro-1,2-oxazole);ethane

C10H22N2O2 — CID 158840196

IUPACbis(4,5-dihydro-1,2-oxazole);ethane
SMILESC1=NOCC1.C1=NOCC1.CC.CC
InChIInChI=1S/2C3H5NO.2C2H6/c2*1-2-4-5-3-1;2*1-2/h2*2H,1,3H2;2*1-2H3
InChIKeyIYDJSDCWNVUQFF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.84
Rot. Bonds

About bis(4,5-dihydro-1,2-oxazole);ethane

bis(4,5-dihydro-1,2-oxazole);ethane (PubChem CID 158840196) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is bis(4,5-dihydro-1,2-oxazole);ethane.

Molecular Properties

Compound Namebis(4,5-dihydro-1,2-oxazole);ethane
PubChem CID158840196
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namebis(4,5-dihydro-1,2-oxazole);ethane
SMILESC1=NOCC1.C1=NOCC1.CC.CC
InChIInChI=1S/2C3H5NO.2C2H6/c2*1-2-4-5-3-1;2*1-2/h2*2H,1,3H2;2*1-2H3
InChIKeyIYDJSDCWNVUQFF-UHFFFAOYSA-N
XLogP2.84
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;4,5-dihydro-1,2-oxazole
CID 174704929
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CID 158461217
(2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole
CID 67826607
chromen-2-one;4,5-dihydro-1,2-oxazole
CID 174885895
(2E,7E)-7-chloro-8-methyl-5,6-dihydro-4H-oxazocine
CID 135275737
3,4-dihydro-2H-pyrrole;ethane;propane
CID 143814919
ethane;5-methyl-4,5-dihydro-1,2-oxazole
CID 91028446
2-deuterio-2,3,6,7-tetrahydro-1,4-oxazepine
CID 175713370
4,5,6,7-tetrahydrodiazocine
CID 91529260
4,5-dihydro-1,3-oxazole;ethane
CID 90953870
cyclopropane;ethane
CID 167628168

Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,2-oxazole);ethane?
The IUPAC name of bis(4,5-dihydro-1,2-oxazole);ethane (CID 158840196) is bis(4,5-dihydro-1,2-oxazole);ethane.
What is the SMILES notation for bis(4,5-dihydro-1,2-oxazole);ethane?
The canonical SMILES for bis(4,5-dihydro-1,2-oxazole);ethane is C1=NOCC1.C1=NOCC1.CC.CC.
What is the InChIKey of bis(4,5-dihydro-1,2-oxazole);ethane?
The InChIKey is IYDJSDCWNVUQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5NO.2C2H6/c2*1-2-4-5-3-1;2*1-2/h2*2H,1,3H2;2*1-2H3.
What are the key properties of bis(4,5-dihydro-1,2-oxazole);ethane?
bis(4,5-dihydro-1,2-oxazole);ethane has a molecular weight of 202.30 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,2-oxazole);ethane is sourced from PubChem (CID 158840196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).