(4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine

C7H15NO — CID 55300970

IUPAC(4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine
SMILESCC1N[C@@H](C(C)C)CO1
InChIInChI=1S/C7H15NO/c1-5(2)7-4-9-6(3)8-7/h5-8H,4H2,1-3H3/t6?,7-/m1/s1
InChIKeyKSYNERBUJUEZJQ-COBSHVIPSA-N
MW129.20 g/mol
LogP0.98
Rot. Bonds1

About (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine

(4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine (PubChem CID 55300970) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine
PubChem CID55300970
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine
SMILESCC1N[C@@H](C(C)C)CO1
InChIInChI=1S/C7H15NO/c1-5(2)7-4-9-6(3)8-7/h5-8H,4H2,1-3H3/t6?,7-/m1/s1
InChIKeyKSYNERBUJUEZJQ-COBSHVIPSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine?
The IUPAC name of (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine (CID 55300970) is (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine is CC1N[C@@H](C(C)C)CO1.
What is the InChIKey of (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine?
The InChIKey is KSYNERBUJUEZJQ-COBSHVIPSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)7-4-9-6(3)8-7/h5-8H,4H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine?
(4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine has a molecular weight of 129.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 55300970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).