(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide

C16H19N5O3 — CID 125440172

IUPAC(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
SMILESCOCc1noc(CNC(=O)[C@H](C)n2c(C)nc3ccccc32)n1
InChIInChI=1S/C16H19N5O3/c1-10(21-11(2)18-12-6-4-5-7-13(12)21)16(22)17-8-15-19-14(9-23-3)20-24-15/h4-7,10H,8-9H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyFPESNWJJSGGZFP-JTQLQIEISA-N
MW329.36 g/mol
LogP1.75
Rot. Bonds6

About (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide

(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 125440172) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID125440172
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
SMILESCOCc1noc(CNC(=O)[C@H](C)n2c(C)nc3ccccc32)n1
InChIInChI=1S/C16H19N5O3/c1-10(21-11(2)18-12-6-4-5-7-13(12)21)16(22)17-8-15-19-14(9-23-3)20-24-15/h4-7,10H,8-9H2,1-3H3,(H,17,22)/t10-/m0/s1
InChIKeyFPESNWJJSGGZFP-JTQLQIEISA-N
XLogP1.75
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide 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

N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 134102969
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 51598009
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 91770853
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2-pyrrol-1-ylpropanamide
CID 122558648
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126427659
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide (CID 125440172) is (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide is COCc1noc(CNC(=O)[C@H](C)n2c(C)nc3ccccc32)n1.
What is the InChIKey of (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is FPESNWJJSGGZFP-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10(21-11(2)18-12-6-4-5-7-13(12)21)16(22)17-8-15-19-14(9-23-3)20-24-15/h4-7,10H,8-9H2,1-3H3,(H,17,22)/t10-/m0/s1.
What are the key properties of (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 329.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 125440172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).