3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine

C16H20N2O — CID 139770543

IUPAC3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine
SMILESCNc1conc1C1(C)CCCc2ccc(C)cc21
InChIInChI=1S/C16H20N2O/c1-11-6-7-12-5-4-8-16(2,13(12)9-11)15-14(17-3)10-19-18-15/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyHOTSNUCFBGKPRZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.67
Rot. Bonds2

About 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine

3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine (PubChem CID 139770543) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine
PubChem CID139770543
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine
SMILESCNc1conc1C1(C)CCCc2ccc(C)cc21
InChIInChI=1S/C16H20N2O/c1-11-6-7-12-5-4-8-16(2,13(12)9-11)15-14(17-3)10-19-18-15/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyHOTSNUCFBGKPRZ-UHFFFAOYSA-N
XLogP3.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine?
The IUPAC name of 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine (CID 139770543) is 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine is CNc1conc1C1(C)CCCc2ccc(C)cc21.
What is the InChIKey of 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine?
The InChIKey is HOTSNUCFBGKPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-7-12-5-4-8-16(2,13(12)9-11)15-14(17-3)10-19-18-15/h6-7,9-10,17H,4-5,8H2,1-3H3.
What are the key properties of 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine?
3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-N-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 139770543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).