N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine

C15H21N3O2 — CID 63322960

IUPACN-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCCCc1noc(COc2ccc(C)cc2CNC)n1
InChIInChI=1S/C15H21N3O2/c1-4-5-14-17-15(20-18-14)10-19-13-7-6-11(2)8-12(13)9-16-3/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyVSJQVCMRAKJRTC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.63
Rot. Bonds7

About N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine

N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 63322960) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
PubChem CID63322960
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCCCc1noc(COc2ccc(C)cc2CNC)n1
InChIInChI=1S/C15H21N3O2/c1-4-5-14-17-15(20-18-14)10-19-13-7-6-11(2)8-12(13)9-16-3/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyVSJQVCMRAKJRTC-UHFFFAOYSA-N
XLogP2.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60878906
5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 64854154
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326409
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methyl]cyclopropanamine
CID 63327138
N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
N-methyl-1-[5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]methanamine
CID 79776744
[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]methanamine
CID 63322856
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
5-bromo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 80601584

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (CID 63322960) is N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is CCCc1noc(COc2ccc(C)cc2CNC)n1.
What is the InChIKey of N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is VSJQVCMRAKJRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-5-14-17-15(20-18-14)10-19-13-7-6-11(2)8-12(13)9-16-3/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 63322960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).