2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide

C11H16N2O3 — CID 164637394

IUPAC2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide
SMILESO=C(C[C@H]1CCCOC1)NCc1ccno1
InChIInChI=1S/C11H16N2O3/c14-11(6-9-2-1-5-15-8-9)12-7-10-3-4-13-16-10/h3-4,9H,1-2,5-8H2,(H,12,14)/t9-/m1/s1
InChIKeyLHSGSEROROFETD-SECBINFHSA-N
MW224.26 g/mol
LogP1.11
Rot. Bonds4

About 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide

2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide (PubChem CID 164637394) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide
PubChem CID164637394
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide
SMILESO=C(C[C@H]1CCCOC1)NCc1ccno1
InChIInChI=1S/C11H16N2O3/c14-11(6-9-2-1-5-15-8-9)12-7-10-3-4-13-16-10/h3-4,9H,1-2,5-8H2,(H,12,14)/t9-/m1/s1
InChIKeyLHSGSEROROFETD-SECBINFHSA-N
XLogP1.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide (CID 164637394) is 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide is O=C(C[C@H]1CCCOC1)NCc1ccno1.
What is the InChIKey of 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide?
The InChIKey is LHSGSEROROFETD-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-11(6-9-2-1-5-15-8-9)12-7-10-3-4-13-16-10/h3-4,9H,1-2,5-8H2,(H,12,14)/t9-/m1/s1.
What are the key properties of 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide?
2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide has a molecular weight of 224.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-oxan-3-yl]-N-(1,2-oxazol-5-ylmethyl)acetamide is sourced from PubChem (CID 164637394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).