N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine

C16H23N3O2 — CID 60879692

IUPACN-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)c(OCc2noc(C)n2)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-5-6-17-9-14-7-11(2)16(12(3)8-14)20-10-15-18-13(4)21-19-15/h7-8,17H,5-6,9-10H2,1-4H3
InChIKeyOIPUCIFUEXAWGO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.07
Rot. Bonds7

About N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 60879692) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID60879692
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)c(OCc2noc(C)n2)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-5-6-17-9-14-7-11(2)16(12(3)8-14)20-10-15-18-13(4)21-19-15/h7-8,17H,5-6,9-10H2,1-4H3
InChIKeyOIPUCIFUEXAWGO-UHFFFAOYSA-N
XLogP3.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 61497109
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953089
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60881221
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
N-[[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553318
N-[[4-(2-bromoprop-2-enoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 60879502
N-[[3,5-dibromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107742358
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 60881291
N-[[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methyl]propan-1-amine
CID 114471398
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (CID 60879692) is N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cc(C)c(OCc2noc(C)n2)c(C)c1.
What is the InChIKey of N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is OIPUCIFUEXAWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-6-17-9-14-7-11(2)16(12(3)8-14)20-10-15-18-13(4)21-19-15/h7-8,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60879692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).