(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol

C6H10N2O2S — CID 130493422

IUPAC(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
SMILESNC[C@@H](O)CSc1ncco1
InChIInChI=1S/C6H10N2O2S/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4,7H2/t5-/m1/s1
InChIKeyFKKHKYVPTBGQRE-RXMQYKEDSA-N
MW174.23 g/mol
LogP0.09
Rot. Bonds4

About (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol

(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol (PubChem CID 130493422) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
PubChem CID130493422
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
SMILESNC[C@@H](O)CSc1ncco1
InChIInChI=1S/C6H10N2O2S/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4,7H2/t5-/m1/s1
InChIKeyFKKHKYVPTBGQRE-RXMQYKEDSA-N
XLogP0.09
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol (CID 130493422) is (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol is NC[C@@H](O)CSc1ncco1.
What is the InChIKey of (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is FKKHKYVPTBGQRE-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4,7H2/t5-/m1/s1.
What are the key properties of (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
(2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 174.23 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 130493422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).