(1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine

C16H23N3O2 — CID 95288572

IUPAC(1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCOc1c(C)cc(CN(C)[C@@H](C)c2nnc(C)o2)cc1C
InChIInChI=1S/C16H23N3O2/c1-10-7-14(8-11(2)15(10)20-6)9-19(5)12(3)16-18-17-13(4)21-16/h7-8,12H,9H2,1-6H3/t12-/m0/s1
InChIKeyBNAAYRXEEIVVNI-LBPRGKRZSA-N
MW289.38 g/mol
LogP3.20
Rot. Bonds5

About (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine

(1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 95288572) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID95288572
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCOc1c(C)cc(CN(C)[C@@H](C)c2nnc(C)o2)cc1C
InChIInChI=1S/C16H23N3O2/c1-10-7-14(8-11(2)15(10)20-6)9-19(5)12(3)16-18-17-13(4)21-16/h7-8,12H,9H2,1-6H3/t12-/m0/s1
InChIKeyBNAAYRXEEIVVNI-LBPRGKRZSA-N
XLogP3.20
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
(1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 129378203
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198678
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 157084252
(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 94817203
N'-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227089
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 171702275
2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide
CID 94812590
3-[1-(furan-2-yl)ethyl]-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 86880553
(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide
CID 119766907

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 95288572) is (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine is COc1c(C)cc(CN(C)[C@@H](C)c2nnc(C)o2)cc1C.
What is the InChIKey of (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is BNAAYRXEEIVVNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-7-14(8-11(2)15(10)20-6)9-19(5)12(3)16-18-17-13(4)21-16/h7-8,12H,9H2,1-6H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
(1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 289.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 95288572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).