N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide

C15H17N5O3 — CID 95985146

IUPACN-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCCO[C@@H](C)c1noc(CNC(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C15H17N5O3/c1-3-22-9(2)14-19-13(23-20-14)7-16-15(21)10-4-5-11-12(6-10)18-8-17-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,21)(H,17,18)/t9-/m0/s1
InChIKeyMMHXNRBLZQQJNK-VIFPVBQESA-N
MW315.33 g/mol
LogP1.97
Rot. Bonds6

About N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide

N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 95985146) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID95985146
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCCO[C@@H](C)c1noc(CNC(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C15H17N5O3/c1-3-22-9(2)14-19-13(23-20-14)7-16-15(21)10-4-5-11-12(6-10)18-8-17-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,21)(H,17,18)/t9-/m0/s1
InChIKeyMMHXNRBLZQQJNK-VIFPVBQESA-N
XLogP1.97
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide 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-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 71869742
2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 96523969
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 136666454
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761
N-(2-aminobutyl)-3H-benzimidazole-5-carboxamide
CID 63731791
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
(3S)-N-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324930
N-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 91819041
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide (CID 95985146) is N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide is CCO[C@@H](C)c1noc(CNC(=O)c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is MMHXNRBLZQQJNK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N5O3/c1-3-22-9(2)14-19-13(23-20-14)7-16-15(21)10-4-5-11-12(6-10)18-8-17-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,21)(H,17,18)/t9-/m0/s1.
What are the key properties of N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide?
N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 95985146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).