(3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine

C9H14N2O2 — CID 89051318

IUPAC(3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine
SMILESCc1cnc([C@@H]2CC[C@@H](N)CO2)o1
InChIInChI=1S/C9H14N2O2/c1-6-4-11-9(13-6)8-3-2-7(10)5-12-8/h4,7-8H,2-3,5,10H2,1H3/t7-,8+/m1/s1
InChIKeyZWVVTLYAEOJIDI-SFYZADRCSA-N
MW182.22 g/mol
LogP1.16
Rot. Bonds1

About (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine

(3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine (PubChem CID 89051318) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine
PubChem CID89051318
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine
SMILESCc1cnc([C@@H]2CC[C@@H](N)CO2)o1
InChIInChI=1S/C9H14N2O2/c1-6-4-11-9(13-6)8-3-2-7(10)5-12-8/h4,7-8H,2-3,5,10H2,1H3/t7-,8+/m1/s1
InChIKeyZWVVTLYAEOJIDI-SFYZADRCSA-N
XLogP1.16
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine?
The IUPAC name of (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine (CID 89051318) is (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine?
The canonical SMILES for (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine is Cc1cnc([C@@H]2CC[C@@H](N)CO2)o1.
What is the InChIKey of (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine?
The InChIKey is ZWVVTLYAEOJIDI-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-11-9(13-6)8-3-2-7(10)5-12-8/h4,7-8H,2-3,5,10H2,1H3/t7-,8+/m1/s1.
What are the key properties of (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine?
(3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine has a molecular weight of 182.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-(5-methyl-1,3-oxazol-2-yl)oxan-3-amine is sourced from PubChem (CID 89051318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).