2-amino-1-(1,3-oxazol-2-yl)butan-1-ol

C7H12N2O2 — CID 22053937

IUPAC2-amino-1-(1,3-oxazol-2-yl)butan-1-ol
SMILESCCC(N)C(O)c1ncco1
InChIInChI=1S/C7H12N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-6,10H,2,8H2,1H3
InChIKeyXVFYPXKPVXXLMA-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.45
Rot. Bonds3

About 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol

2-amino-1-(1,3-oxazol-2-yl)butan-1-ol (PubChem CID 22053937) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1,3-oxazol-2-yl)butan-1-ol
PubChem CID22053937
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-amino-1-(1,3-oxazol-2-yl)butan-1-ol
SMILESCCC(N)C(O)c1ncco1
InChIInChI=1S/C7H12N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-6,10H,2,8H2,1H3
InChIKeyXVFYPXKPVXXLMA-UHFFFAOYSA-N
XLogP0.45
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol?
The IUPAC name of 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol (CID 22053937) is 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol?
The canonical SMILES for 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol is CCC(N)C(O)c1ncco1.
What is the InChIKey of 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol?
The InChIKey is XVFYPXKPVXXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-5(8)6(10)7-9-3-4-11-7/h3-6,10H,2,8H2,1H3.
What are the key properties of 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol?
2-amino-1-(1,3-oxazol-2-yl)butan-1-ol has a molecular weight of 156.18 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-oxazol-2-yl)butan-1-ol is sourced from PubChem (CID 22053937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).