4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol

C7H11NO3 — CID 117274725

IUPAC4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol
SMILESOCC1=NOC2OCCCC12
InChIInChI=1S/C7H11NO3/c9-4-6-5-2-1-3-10-7(5)11-8-6/h5,7,9H,1-4H2
InChIKeyPCJIDEZYYZKOFT-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.12
Rot. Bonds1

About 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol

4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol (PubChem CID 117274725) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol.

Molecular Properties

Compound Name4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol
PubChem CID117274725
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol
SMILESOCC1=NOC2OCCCC12
InChIInChI=1S/C7H11NO3/c9-4-6-5-2-1-3-10-7(5)11-8-6/h5,7,9H,1-4H2
InChIKeyPCJIDEZYYZKOFT-UHFFFAOYSA-N
XLogP0.12
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol?
The IUPAC name of 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol (CID 117274725) is 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol.
What is the SMILES notation for 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol?
The canonical SMILES for 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol is OCC1=NOC2OCCCC12.
What is the InChIKey of 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol?
The InChIKey is PCJIDEZYYZKOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-4-6-5-2-1-3-10-7(5)11-8-6/h5,7,9H,1-4H2.
What are the key properties of 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol?
4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol has a molecular weight of 157.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazol-3-ylmethanol is sourced from PubChem (CID 117274725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).