4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide

C17H21N5O3 — CID 91917705

IUPAC4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
SMILESCOCc1nc(CCNC(=O)CCCc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C17H21N5O3/c1-24-11-17-21-15(22-25-17)9-10-18-16(23)8-4-7-14-19-12-5-2-3-6-13(12)20-14/h2-3,5-6H,4,7-11H2,1H3,(H,18,23)(H,19,20)
InChIKeyGZQVWBOJGHFXJP-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.77
Rot. Bonds9

About 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide

4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide (PubChem CID 91917705) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
PubChem CID91917705
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
SMILESCOCc1nc(CCNC(=O)CCCc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C17H21N5O3/c1-24-11-17-21-15(22-25-17)9-10-18-16(23)8-4-7-14-19-12-5-2-3-6-13(12)20-14/h2-3,5-6H,4,7-11H2,1H3,(H,18,23)(H,19,20)
InChIKeyGZQVWBOJGHFXJP-UHFFFAOYSA-N
XLogP1.77
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide with MolForge

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18137274
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31122671
3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 18145899
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 91794074
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide (CID 91917705) is 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide is COCc1nc(CCNC(=O)CCCc2nc3ccccc3[nH]2)no1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The InChIKey is GZQVWBOJGHFXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-24-11-17-21-15(22-25-17)9-10-18-16(23)8-4-7-14-19-12-5-2-3-6-13(12)20-14/h2-3,5-6H,4,7-11H2,1H3,(H,18,23)(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide has a molecular weight of 343.39 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide is sourced from PubChem (CID 91917705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).