4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol

C8H14N2O2 — CID 82412475

IUPAC4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol
SMILESCc1oncc1C(C)(O)CCN
InChIInChI=1S/C8H14N2O2/c1-6-7(5-10-12-6)8(2,11)3-4-9/h5,11H,3-4,9H2,1-2H3
InChIKeyWHUKLSYQRBWMFN-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.54
Rot. Bonds3

About 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol

4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol (PubChem CID 82412475) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol
PubChem CID82412475
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol
SMILESCc1oncc1C(C)(O)CCN
InChIInChI=1S/C8H14N2O2/c1-6-7(5-10-12-6)8(2,11)3-4-9/h5,11H,3-4,9H2,1-2H3
InChIKeyWHUKLSYQRBWMFN-UHFFFAOYSA-N
XLogP0.54
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol?
The IUPAC name of 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol (CID 82412475) is 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol?
The canonical SMILES for 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol is Cc1oncc1C(C)(O)CCN.
What is the InChIKey of 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol?
The InChIKey is WHUKLSYQRBWMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-7(5-10-12-6)8(2,11)3-4-9/h5,11H,3-4,9H2,1-2H3.
What are the key properties of 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol?
4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol has a molecular weight of 170.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol is sourced from PubChem (CID 82412475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).