N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride

C13H17ClN2O — CID 3064035

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
SMILESCl.c1cc2c(c(NC3=NCCO3)c1)CCCC2
InChIInChI=1S/C13H16N2O.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13;/h3,5,7H,1-2,4,6,8-9H2,(H,14,15);1H
InChIKeyRQJUNRWJTVYUFM-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.79
Rot. Bonds1

About N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride (PubChem CID 3064035) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
PubChem CID3064035
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
SMILESCl.c1cc2c(c(NC3=NCCO3)c1)CCCC2
InChIInChI=1S/C13H16N2O.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13;/h3,5,7H,1-2,4,6,8-9H2,(H,14,15);1H
InChIKeyRQJUNRWJTVYUFM-UHFFFAOYSA-N
XLogP2.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride (CID 3064035) is N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride is Cl.c1cc2c(c(NC3=NCCO3)c1)CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride?
The InChIKey is RQJUNRWJTVYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13;/h3,5,7H,1-2,4,6,8-9H2,(H,14,15);1H.
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride?
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride is sourced from PubChem (CID 3064035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).