3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol

C10H18N2O2 — CID 83831538

IUPAC3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol
SMILESCC(C)(C)c1oncc1C(O)CCN
InChIInChI=1S/C10H18N2O2/c1-10(2,3)9-7(6-12-14-9)8(13)4-5-11/h6,8,13H,4-5,11H2,1-3H3
InChIKeyZMVWXCWYQVVMKW-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.35
Rot. Bonds3

About 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol

3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol (PubChem CID 83831538) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol
PubChem CID83831538
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol
SMILESCC(C)(C)c1oncc1C(O)CCN
InChIInChI=1S/C10H18N2O2/c1-10(2,3)9-7(6-12-14-9)8(13)4-5-11/h6,8,13H,4-5,11H2,1-3H3
InChIKeyZMVWXCWYQVVMKW-UHFFFAOYSA-N
XLogP1.35
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol (CID 83831538) is 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol is CC(C)(C)c1oncc1C(O)CCN.
What is the InChIKey of 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol?
The InChIKey is ZMVWXCWYQVVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)9-7(6-12-14-9)8(13)4-5-11/h6,8,13H,4-5,11H2,1-3H3.
What are the key properties of 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol?
3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-tert-butyl-1,2-oxazol-4-yl)propan-1-ol is sourced from PubChem (CID 83831538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).