3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine

C20H21N5O2 — CID 133346672

IUPAC3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCCCc3nc4ccccc4n3C)n2)c1
InChIInChI=1S/C20H21N5O2/c1-25-17-10-4-3-9-16(17)22-18(25)11-6-12-21-20-23-19(24-27-20)14-7-5-8-15(13-14)26-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,23,24)
InChIKeyHALTWQCYNAEBAZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.68
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine

3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133346672) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine
PubChem CID133346672
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1cccc(-c2noc(NCCCc3nc4ccccc4n3C)n2)c1
InChIInChI=1S/C20H21N5O2/c1-25-17-10-4-3-9-16(17)22-18(25)11-6-12-21-20-23-19(24-27-20)14-7-5-8-15(13-14)26-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,23,24)
InChIKeyHALTWQCYNAEBAZ-UHFFFAOYSA-N
XLogP3.68
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
CID 11737586
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231
3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133319455
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323581
5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133445479
(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 97258783

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine (CID 133346672) is 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine is COc1cccc(-c2noc(NCCCc3nc4ccccc4n3C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is HALTWQCYNAEBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25-17-10-4-3-9-16(17)22-18(25)11-6-12-21-20-23-19(24-27-20)14-7-5-8-15(13-14)26-2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,23,24).
What are the key properties of 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine?
3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 363.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133346672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).