2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole

C16H21NO3 — CID 15483490

IUPAC2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOC1=C[C@H](c2ccco2)[C@](C)(C2=NC(C)(C)CO2)C1
InChIInChI=1S/C16H21NO3/c1-15(2)10-20-14(17-15)16(3)9-11(18-4)8-12(16)13-6-5-7-19-13/h5-8,12H,9-10H2,1-4H3/t12-,16-/m1/s1
InChIKeyOQXNFIOGAOQDKM-MLGOLLRUSA-N
MW275.35 g/mol
LogP3.51
Rot. Bonds3

About 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 15483490) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID15483490
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOC1=C[C@H](c2ccco2)[C@](C)(C2=NC(C)(C)CO2)C1
InChIInChI=1S/C16H21NO3/c1-15(2)10-20-14(17-15)16(3)9-11(18-4)8-12(16)13-6-5-7-19-13/h5-8,12H,9-10H2,1-4H3/t12-,16-/m1/s1
InChIKeyOQXNFIOGAOQDKM-MLGOLLRUSA-N
XLogP3.51
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 15483490) is 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole is COC1=C[C@H](c2ccco2)[C@](C)(C2=NC(C)(C)CO2)C1.
What is the InChIKey of 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is OQXNFIOGAOQDKM-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H21NO3/c1-15(2)10-20-14(17-15)16(3)9-11(18-4)8-12(16)13-6-5-7-19-13/h5-8,12H,9-10H2,1-4H3/t12-,16-/m1/s1.
What are the key properties of 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 275.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(furan-2-yl)-4-methoxy-1-methylcyclopent-3-en-1-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 15483490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).