5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole

C8H15NO2 — CID 159968887

IUPAC5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole
SMILESCOC1CC2OCN(C)C2C1
InChIInChI=1S/C8H15NO2/c1-9-5-11-8-4-6(10-2)3-7(8)9/h6-8H,3-5H2,1-2H3
InChIKeyOEGYGNSFXCHFCC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds1

About 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole

5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole (PubChem CID 159968887) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole.

Molecular Properties

Compound Name5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole
PubChem CID159968887
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole
SMILESCOC1CC2OCN(C)C2C1
InChIInChI=1S/C8H15NO2/c1-9-5-11-8-4-6(10-2)3-7(8)9/h6-8H,3-5H2,1-2H3
InChIKeyOEGYGNSFXCHFCC-UHFFFAOYSA-N
XLogP0.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

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1-chloro-3-methoxycyclobutane
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cis-(1S,3R)-1,3-dimethoxycyclopentane
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ethane;1-[2-(3-methoxycyclobutyl)oxyethyl]-4-methylpiperazine
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1,4-dimethoxy-2-methylcyclopentane
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole?
The IUPAC name of 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole (CID 159968887) is 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole.
What is the SMILES notation for 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole?
The canonical SMILES for 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole is COC1CC2OCN(C)C2C1.
What is the InChIKey of 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole?
The InChIKey is OEGYGNSFXCHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-5-11-8-4-6(10-2)3-7(8)9/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole?
5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole has a molecular weight of 157.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-2,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazole is sourced from PubChem (CID 159968887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).