(5S)-5-methyl-1,3-oxazolidine

C4H9NO — CID 58880505

IUPAC(5S)-5-methyl-1,3-oxazolidine
SMILESC[C@H]1CNCO1
InChIInChI=1S/C4H9NO/c1-4-2-5-3-6-4/h4-5H,2-3H2,1H3/t4-/m0/s1
InChIKeyHBVZPVWFLGXUAU-BYPYZUCNSA-N
MW87.12 g/mol
LogP-0.05
Rot. Bonds

About (5S)-5-methyl-1,3-oxazolidine

(5S)-5-methyl-1,3-oxazolidine (PubChem CID 58880505) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (5S)-5-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name(5S)-5-methyl-1,3-oxazolidine
PubChem CID58880505
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(5S)-5-methyl-1,3-oxazolidine
SMILESC[C@H]1CNCO1
InChIInChI=1S/C4H9NO/c1-4-2-5-3-6-4/h4-5H,2-3H2,1H3/t4-/m0/s1
InChIKeyHBVZPVWFLGXUAU-BYPYZUCNSA-N
XLogP-0.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 2,2,5-trimethyl-
CID 95486
2,2-Dimethyl-oxazolidine
CID 550697
4-Ethyloxazolidine
CID 103721
2-Methyl-1,3-oxazolidine
CID 544812
5-Methyl-1,3-oxazolidine-2-thione
CID 3258601
2-(Propan-2-yl)-1,3-oxazolidine
CID 22661596
(3R)-3-(1-Methylethoxy)pyrrolidine
CID 68339378
5-Methyloxazolidine
CID 536661
Oxazolidine, 2-ethyl-2-methyl-
CID 278565
5-Methyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 207924
(3S)-3-ethoxypyrrolidine
CID 11116030
3-Methoxypyrrolidine
CID 11355447

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1,3-oxazolidine?
The IUPAC name of (5S)-5-methyl-1,3-oxazolidine (CID 58880505) is (5S)-5-methyl-1,3-oxazolidine.
What is the SMILES notation for (5S)-5-methyl-1,3-oxazolidine?
The canonical SMILES for (5S)-5-methyl-1,3-oxazolidine is C[C@H]1CNCO1.
What is the InChIKey of (5S)-5-methyl-1,3-oxazolidine?
The InChIKey is HBVZPVWFLGXUAU-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9NO/c1-4-2-5-3-6-4/h4-5H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (5S)-5-methyl-1,3-oxazolidine?
(5S)-5-methyl-1,3-oxazolidine has a molecular weight of 87.12 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1,3-oxazolidine is sourced from PubChem (CID 58880505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).