2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C13H14N2O2 — CID 137007240

IUPAC2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNc1cc(-c2ccc3c(c2O)CCCC3)no1
InChIInChI=1S/C13H14N2O2/c14-12-7-11(15-17-12)10-6-5-8-3-1-2-4-9(8)13(10)16/h5-7,16H,1-4,14H2
InChIKeyNDMVTWOLQBOSMU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.51
Rot. Bonds1

About 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 137007240) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID137007240
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNc1cc(-c2ccc3c(c2O)CCCC3)no1
InChIInChI=1S/C13H14N2O2/c14-12-7-11(15-17-12)10-6-5-8-3-1-2-4-9(8)13(10)16/h5-7,16H,1-4,14H2
InChIKeyNDMVTWOLQBOSMU-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 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 137007240) is 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is Nc1cc(-c2ccc3c(c2O)CCCC3)no1.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is NDMVTWOLQBOSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-12-7-11(15-17-12)10-6-5-8-3-1-2-4-9(8)13(10)16/h5-7,16H,1-4,14H2.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
2-(5-amino-1,2-oxazol-3-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 2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 137007240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).