N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine

C20H23N3O2 — CID 23724001

IUPACN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C20H23N3O2/c1-23(13-14-24-2)15-18-21-20(22-25-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3
InChIKeyLMTNIZRFJFBEKE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds8

About N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine

N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine (PubChem CID 23724001) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine
PubChem CID23724001
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C20H23N3O2/c1-23(13-14-24-2)15-18-21-20(22-25-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3
InChIKeyLMTNIZRFJFBEKE-UHFFFAOYSA-N
XLogP3.33
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Prenoxdiazine
CID 120508
Proxazole
CID 8590
2-(Benzyl{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}amino)ethanol
CID 16187225
(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methoxypiperidine
CID 16189965
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16190830
2-[Methyl({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)amino]ethanol
CID 16191035
N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 16192431
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
4-Benzyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
CID 750953
4-Methyl-1-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-piperidine
CID 6461235
1-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine
CID 16187376

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine (CID 23724001) is N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine?
The InChIKey is LMTNIZRFJFBEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23(13-14-24-2)15-18-21-20(22-25-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3.
What are the key properties of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine?
N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine has a molecular weight of 337.42 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 23724001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).