4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C13H14N2O2 — CID 117332534

IUPAC4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNc1oncc1-c1ccc(O)c2c1CCCC2
InChIInChI=1S/C13H14N2O2/c14-13-11(7-15-17-13)9-5-6-12(16)10-4-2-1-3-8(9)10/h5-7,16H,1-4,14H2
InChIKeyDAZCYZOGOCCPHI-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.51
Rot. Bonds1

About 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 117332534) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID117332534
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNc1oncc1-c1ccc(O)c2c1CCCC2
InChIInChI=1S/C13H14N2O2/c14-13-11(7-15-17-13)9-5-6-12(16)10-4-2-1-3-8(9)10/h5-7,16H,1-4,14H2
InChIKeyDAZCYZOGOCCPHI-UHFFFAOYSA-N
XLogP2.51
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 117332534) is 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is Nc1oncc1-c1ccc(O)c2c1CCCC2.
What is the InChIKey of 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is DAZCYZOGOCCPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-13-11(7-15-17-13)9-5-6-12(16)10-4-2-1-3-8(9)10/h5-7,16H,1-4,14H2.
What are the key properties of 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 230.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 117332534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).