3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide

C18H19N5O2 — CID 95767805

IUPAC3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
SMILESC[C@H](c1nc(-c2cccnc2)no1)N(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C18H19N5O2/c1-12(18-21-17(22-25-18)15-7-4-8-20-10-15)23(2)11-13-5-3-6-14(9-13)16(19)24/h3-10,12H,11H2,1-2H3,(H2,19,24)/t12-/m1/s1
InChIKeyWUIBIASGZJCRAO-GFCCVEGCSA-N
MW337.38 g/mol
LogP2.42
Rot. Bonds6

About 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide

3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide (PubChem CID 95767805) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
PubChem CID95767805
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
SMILESC[C@H](c1nc(-c2cccnc2)no1)N(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C18H19N5O2/c1-12(18-21-17(22-25-18)15-7-4-8-20-10-15)23(2)11-13-5-3-6-14(9-13)16(19)24/h3-10,12H,11H2,1-2H3,(H2,19,24)/t12-/m1/s1
InChIKeyWUIBIASGZJCRAO-GFCCVEGCSA-N
XLogP2.42
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
CID 77081738
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94421822
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 56580120
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 78843166
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
1-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
CID 91767417
N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42649451

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide?
The IUPAC name of 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide (CID 95767805) is 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide is C[C@H](c1nc(-c2cccnc2)no1)N(C)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide?
The InChIKey is WUIBIASGZJCRAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12(18-21-17(22-25-18)15-7-4-8-20-10-15)23(2)11-13-5-3-6-14(9-13)16(19)24/h3-10,12H,11H2,1-2H3,(H2,19,24)/t12-/m1/s1.
What are the key properties of 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide?
3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 95767805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).