2-[(2S)-butan-2-yl]-1,3-oxazole

C7H11NO — CID 89019255

IUPAC2-[(2S)-butan-2-yl]-1,3-oxazole
SMILESCC[C@H](C)c1ncco1
InChIInChI=1S/C7H11NO/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyVMVNFVMIKMIETB-LURJTMIESA-N
MW125.17 g/mol
LogP2.19
Rot. Bonds2

About 2-[(2S)-butan-2-yl]-1,3-oxazole

2-[(2S)-butan-2-yl]-1,3-oxazole (PubChem CID 89019255) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]-1,3-oxazole
PubChem CID89019255
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-[(2S)-butan-2-yl]-1,3-oxazole
SMILESCC[C@H](C)c1ncco1
InChIInChI=1S/C7H11NO/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyVMVNFVMIKMIETB-LURJTMIESA-N
XLogP2.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-butan-2-yl]-1,3-oxazole 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 2-[(2S)-butan-2-yl]-1,3-oxazole?
The IUPAC name of 2-[(2S)-butan-2-yl]-1,3-oxazole (CID 89019255) is 2-[(2S)-butan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[(2S)-butan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[(2S)-butan-2-yl]-1,3-oxazole is CC[C@H](C)c1ncco1.
What is the InChIKey of 2-[(2S)-butan-2-yl]-1,3-oxazole?
The InChIKey is VMVNFVMIKMIETB-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]-1,3-oxazole?
2-[(2S)-butan-2-yl]-1,3-oxazole has a molecular weight of 125.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]-1,3-oxazole is sourced from PubChem (CID 89019255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).