3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine

C14H16N2O — CID 139770709

IUPAC3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
SMILESCC1c2ccccc2CCC1c1nocc1N
InChIInChI=1S/C14H16N2O/c1-9-11-5-3-2-4-10(11)6-7-12(9)14-13(15)8-17-16-14/h2-5,8-9,12H,6-7,15H2,1H3
InChIKeyGQZNFKVPAMZETP-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.09
Rot. Bonds1

About 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine

3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine (PubChem CID 139770709) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
PubChem CID139770709
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
SMILESCC1c2ccccc2CCC1c1nocc1N
InChIInChI=1S/C14H16N2O/c1-9-11-5-3-2-4-10(11)6-7-12(9)14-13(15)8-17-16-14/h2-5,8-9,12H,6-7,15H2,1H3
InChIKeyGQZNFKVPAMZETP-UHFFFAOYSA-N
XLogP3.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine?
The IUPAC name of 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine (CID 139770709) is 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine is CC1c2ccccc2CCC1c1nocc1N.
What is the InChIKey of 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine?
The InChIKey is GQZNFKVPAMZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-11-5-3-2-4-10(11)6-7-12(9)14-13(15)8-17-16-14/h2-5,8-9,12H,6-7,15H2,1H3.
What are the key properties of 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine?
3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 139770709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).