(3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol

C8H14N2O2 — CID 67564012

IUPAC(3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol
SMILESCC[C@H](N)C(CO)c1ncco1
InChIInChI=1S/C8H14N2O2/c1-2-7(9)6(5-11)8-10-3-4-12-8/h3-4,6-7,11H,2,5,9H2,1H3/t6?,7-/m0/s1
InChIKeyHCZURKGJYFZNJM-MLWJPKLSSA-N
MW170.21 g/mol
LogP0.49
Rot. Bonds4

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

(3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol (PubChem CID 67564012) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol
PubChem CID67564012
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol
SMILESCC[C@H](N)C(CO)c1ncco1
InChIInChI=1S/C8H14N2O2/c1-2-7(9)6(5-11)8-10-3-4-12-8/h3-4,6-7,11H,2,5,9H2,1H3/t6?,7-/m0/s1
InChIKeyHCZURKGJYFZNJM-MLWJPKLSSA-N
XLogP0.49
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol?
The IUPAC name of (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol (CID 67564012) is (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol.
What is the SMILES notation for (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol?
The canonical SMILES for (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol is CC[C@H](N)C(CO)c1ncco1.
What is the InChIKey of (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol?
The InChIKey is HCZURKGJYFZNJM-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-7(9)6(5-11)8-10-3-4-12-8/h3-4,6-7,11H,2,5,9H2,1H3/t6?,7-/m0/s1.
What are the key properties of (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol?
(3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol has a molecular weight of 170.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-(1,3-oxazol-2-yl)pentan-1-ol is sourced from PubChem (CID 67564012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).