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

Name: Bis(4,5-dihydro-1,2-oxazole);ethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₂₂N₂O₂ — CID 158840196

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Bis(4,5-dihydro-1,2-oxazole);ethane
PubChem CID	158840196
Molecular Formula	C₁₀H₂₂N₂O₂
Molecular Weight	202.30 g/mol
Exact Mass	202.17
IUPAC Name	bis(4,5-dihydro-1,2-oxazole);ethane
SMILES	C1=NOCC1.C1=NOCC1.CC.CC
InChI	InChI=1S/2C3H5NO.2C2H6/c21-2-4-5-3-1;21-2/h22H,1,3H2;21-2H3
InChIKey	IYDJSDCWNVUQFF-UHFFFAOYSA-N
XLogP	2.84
TPSA	43.18 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.30
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 158840196 — identifiers, structure, computed properties (public domain)

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