N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide

C19H17N5O3 — CID 4919603

IUPACN-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCOc1cccc(Cn2c(-c3nonc3NC(C)=O)nc3ccccc32)c1
InChIInChI=1S/C19H17N5O3/c1-12(25)20-18-17(22-27-23-18)19-21-15-8-3-4-9-16(15)24(19)11-13-6-5-7-14(10-13)26-2/h3-10H,11H2,1-2H3,(H,20,23,25)
InChIKeyOWOBXUZZDLQWRD-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.10
Rot. Bonds5

About N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide

N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 4919603) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID4919603
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCOc1cccc(Cn2c(-c3nonc3NC(C)=O)nc3ccccc32)c1
InChIInChI=1S/C19H17N5O3/c1-12(25)20-18-17(22-27-23-18)19-21-15-8-3-4-9-16(15)24(19)11-13-6-5-7-14(10-13)26-2/h3-10H,11H2,1-2H3,(H,20,23,25)
InChIKeyOWOBXUZZDLQWRD-UHFFFAOYSA-N
XLogP3.10
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (CID 4919603) is N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is COc1cccc(Cn2c(-c3nonc3NC(C)=O)nc3ccccc32)c1.
What is the InChIKey of N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is OWOBXUZZDLQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-12(25)20-18-17(22-27-23-18)19-21-15-8-3-4-9-16(15)24(19)11-13-6-5-7-14(10-13)26-2/h3-10H,11H2,1-2H3,(H,20,23,25).
What are the key properties of N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 4919603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).