N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine

C13H16N2O — CID 24840533

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1ccc2c(c1)CCC(NC1=NCCO1)C2
InChIInChI=1S/C13H16N2O/c1-2-4-11-9-12(6-5-10(11)3-1)15-13-14-7-8-16-13/h1-4,12H,5-9H2,(H,14,15)
InChIKeyFASSOIOHNMUHCN-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.52
Rot. Bonds1

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24840533) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24840533
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1ccc2c(c1)CCC(NC1=NCCO1)C2
InChIInChI=1S/C13H16N2O/c1-2-4-11-9-12(6-5-10(11)3-1)15-13-14-7-8-16-13/h1-4,12H,5-9H2,(H,14,15)
InChIKeyFASSOIOHNMUHCN-UHFFFAOYSA-N
XLogP1.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine (CID 24840533) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine is c1ccc2c(c1)CCC(NC1=NCCO1)C2.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is FASSOIOHNMUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-4-11-9-12(6-5-10(11)3-1)15-13-14-7-8-16-13/h1-4,12H,5-9H2,(H,14,15).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 216.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24840533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).