5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine

C12H12N2O2 — CID 117308014

IUPAC5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc3c2OCCC3)on1
InChIInChI=1S/C12H12N2O2/c13-11-7-10(16-14-11)9-5-1-3-8-4-2-6-15-12(8)9/h1,3,5,7H,2,4,6H2,(H2,13,14)
InChIKeyANWSFDNYHCRHPE-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.25
Rot. Bonds1

About 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine

5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine (PubChem CID 117308014) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine
PubChem CID117308014
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc3c2OCCC3)on1
InChIInChI=1S/C12H12N2O2/c13-11-7-10(16-14-11)9-5-1-3-8-4-2-6-15-12(8)9/h1,3,5,7H,2,4,6H2,(H2,13,14)
InChIKeyANWSFDNYHCRHPE-UHFFFAOYSA-N
XLogP2.25
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine (CID 117308014) is 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine is Nc1cc(-c2cccc3c2OCCC3)on1.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine?
The InChIKey is ANWSFDNYHCRHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-11-7-10(16-14-11)9-5-1-3-8-4-2-6-15-12(8)9/h1,3,5,7H,2,4,6H2,(H2,13,14).
What are the key properties of 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine?
5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine has a molecular weight of 216.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117308014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).