6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine

C6H8N2O2 — CID 82418271

IUPAC6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine
SMILESNc1noc2c1OCCC2
InChIInChI=1S/C6H8N2O2/c7-6-5-4(10-8-6)2-1-3-9-5/h1-3H2,(H2,7,8)
InChIKeySVMJYULWKYRQNM-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.58
Rot. Bonds

About 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine

6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine (PubChem CID 82418271) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine
PubChem CID82418271
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine
SMILESNc1noc2c1OCCC2
InChIInChI=1S/C6H8N2O2/c7-6-5-4(10-8-6)2-1-3-9-5/h1-3H2,(H2,7,8)
InChIKeySVMJYULWKYRQNM-UHFFFAOYSA-N
XLogP0.58
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine?
The IUPAC name of 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine (CID 82418271) is 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine.
What is the SMILES notation for 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine?
The canonical SMILES for 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine is Nc1noc2c1OCCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine?
The InChIKey is SVMJYULWKYRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-6-5-4(10-8-6)2-1-3-9-5/h1-3H2,(H2,7,8).
What are the key properties of 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine?
6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine has a molecular weight of 140.14 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine is sourced from PubChem (CID 82418271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).