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

C10H21NO — CID 58403887

IUPAC3-tert-butyl-4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)C1COCN1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)9-6-12-7-11(9)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyOWPRDCPZKNXXHI-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds1

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

3-tert-butyl-4-propan-2-yl-1,3-oxazolidine (PubChem CID 58403887) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name3-tert-butyl-4-propan-2-yl-1,3-oxazolidine
PubChem CID58403887
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-tert-butyl-4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)C1COCN1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)9-6-12-7-11(9)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyOWPRDCPZKNXXHI-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine (CID 58403887) is 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine is CC(C)C1COCN1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine?
The InChIKey is OWPRDCPZKNXXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)9-6-12-7-11(9)10(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine?
3-tert-butyl-4-propan-2-yl-1,3-oxazolidine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 58403887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).