4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole

Name: 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₁NO₂ — CID 141062417

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

IUPAC4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole

SMILESCC1(C)N=C(c2ccco2)CO1

InChIInChI=1S/C9H11NO2/c1-9(2)10-7(6-12-9)8-4-3-5-11-8/h3-5H,6H2,1-2H3

InChIKeyWGCHHAATTCFWBC-UHFFFAOYSA-N

MW165.19 g/mol

LogP1.84

Rot. Bonds1

About 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole

4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole (PubChem CID 141062417) has the molecular formula C₉H₁₁NO₂ and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name	4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole
PubChem CID	141062417
Molecular Formula	C₉H₁₁NO₂
Molecular Weight	165.19 g/mol
Exact Mass	165.08
IUPAC Name	4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole
SMILES	CC1(C)N=C(c2ccco2)CO1
InChI	InChI=1S/C9H11NO2/c1-9(2)10-7(6-12-9)8-4-3-5-11-8/h3-5H,6H2,1-2H3
InChIKey	WGCHHAATTCFWBC-UHFFFAOYSA-N
XLogP	1.84
TPSA	34.73 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.19
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole?

The IUPAC name of 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole (CID 141062417) is 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole.

What is the SMILES notation for 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole?

The canonical SMILES for 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole is CC1(C)N=C(c2ccco2)CO1.

What is the InChIKey of 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole?

The InChIKey is WGCHHAATTCFWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-9(2)10-7(6-12-9)8-4-3-5-11-8/h3-5H,6H2,1-2H3.

What are the key properties of 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole?

4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole has a molecular weight of 165.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 141062417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141062417 — identifiers, structure, computed properties (public domain)

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