4-propan-2-yl-1,3-oxazolidine

C6H13NO — CID 13413659

IUPAC4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)C1COCN1
InChIInChI=1S/C6H13NO/c1-5(2)6-3-8-4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyBDLDNXBQNSREFB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.59
Rot. Bonds1

About 4-propan-2-yl-1,3-oxazolidine

4-propan-2-yl-1,3-oxazolidine (PubChem CID 13413659) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4-propan-2-yl-1,3-oxazolidine
PubChem CID13413659
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)C1COCN1
InChIInChI=1S/C6H13NO/c1-5(2)6-3-8-4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyBDLDNXBQNSREFB-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 4-propan-2-yl-1,3-oxazolidine (CID 13413659) is 4-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 4-propan-2-yl-1,3-oxazolidine is CC(C)C1COCN1.
What is the InChIKey of 4-propan-2-yl-1,3-oxazolidine?
The InChIKey is BDLDNXBQNSREFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)6-3-8-4-7-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-oxazolidine?
4-propan-2-yl-1,3-oxazolidine has a molecular weight of 115.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 13413659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).