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

C15H20N2O — CID 53471859

IUPACN-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC1CC(NC2=NCCO2)c2ccccc2C1C
InChIInChI=1S/C15H20N2O/c1-10-9-14(17-15-16-7-8-18-15)13-6-4-3-5-12(13)11(10)2/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,17)
InChIKeySTOFOBPMKOMLJB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.85
Rot. Bonds1

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

N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 53471859) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID53471859
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC1CC(NC2=NCCO2)c2ccccc2C1C
InChIInChI=1S/C15H20N2O/c1-10-9-14(17-15-16-7-8-18-15)13-6-4-3-5-12(13)11(10)2/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,17)
InChIKeySTOFOBPMKOMLJB-UHFFFAOYSA-N
XLogP2.85
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine (CID 53471859) is N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine is CC1CC(NC2=NCCO2)c2ccccc2C1C.
What is the InChIKey of N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is STOFOBPMKOMLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-9-14(17-15-16-7-8-18-15)13-6-4-3-5-12(13)11(10)2/h3-6,10-11,14H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine?
N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 53471859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).