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

C15H18N2O — CID 81343852

IUPAC4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NCc2ccon2)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-11-6-7-15(14-5-3-2-4-13(11)14)16-10-12-8-9-18-17-12/h2-5,8-9,11,15-16H,6-7,10H2,1H3
InChIKeyIOMCCMIPYCNWQT-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.40
Rot. Bonds3

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

4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 81343852) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID81343852
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NCc2ccon2)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-11-6-7-15(14-5-3-2-4-13(11)14)16-10-12-8-9-18-17-12/h2-5,8-9,11,15-16H,6-7,10H2,1H3
InChIKeyIOMCCMIPYCNWQT-UHFFFAOYSA-N
XLogP3.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81326890
4-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185
N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79889646
N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine
CID 81176893
8-fluoro-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81170969
2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532188
2,4-dimethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170767
4-methyl-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418179
6-methoxy-N-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 81171529
1-methyl-3-(1,2-oxazol-3-ylmethylamino)pyrrolidin-2-one
CID 79501211
N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301213
2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 81170404

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 81343852) is 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(NCc2ccon2)c2ccccc21.
What is the InChIKey of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IOMCCMIPYCNWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-7-15(14-5-3-2-4-13(11)14)16-10-12-8-9-18-17-12/h2-5,8-9,11,15-16H,6-7,10H2,1H3.
What are the key properties of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 242.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 81343852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).