4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride

C9H18ClNO2 — CID 117227809

IUPAC4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCCOC2)N1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7-5-12-9(10-7)8-3-2-4-11-6-8;/h7-10H,2-6H2,1H3;1H
InChIKeyOKMCHSFTJKRCJY-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.17
Rot. Bonds1

About 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride

4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227809) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227809
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCCOC2)N1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7-5-12-9(10-7)8-3-2-4-11-6-8;/h7-10H,2-6H2,1H3;1H
InChIKeyOKMCHSFTJKRCJY-UHFFFAOYSA-N
XLogP1.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122223544
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
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4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
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4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
CID 117227945
4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227627
4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227891
2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364256
2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
CID 82418034
2-(1-ethylpyrrolidin-2-yl)-4-methyl-1,3-oxazolidine;hydrochloride
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(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120875759

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227809) is 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride is CC1COC(C2CCCOC2)N1.Cl.
What is the InChIKey of 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is OKMCHSFTJKRCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-7-5-12-9(10-7)8-3-2-4-11-6-8;/h7-10H,2-6H2,1H3;1H.
What are the key properties of 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride?
4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).