1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine

C22H23N5O — CID 17448683

IUPAC1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
SMILESCc1cccc(-c2nnc(C(C)NC(C)c3ccc(-n4ccnc4)cc3)o2)c1
InChIInChI=1S/C22H23N5O/c1-15-5-4-6-19(13-15)22-26-25-21(28-22)17(3)24-16(2)18-7-9-20(10-8-18)27-12-11-23-14-27/h4-14,16-17,24H,1-3H3
InChIKeyLGLRACBARNKYLL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.64
Rot. Bonds6

About 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine

1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine (PubChem CID 17448683) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
PubChem CID17448683
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
SMILESCc1cccc(-c2nnc(C(C)NC(C)c3ccc(-n4ccnc4)cc3)o2)c1
InChIInChI=1S/C22H23N5O/c1-15-5-4-6-19(13-15)22-26-25-21(28-22)17(3)24-16(2)18-7-9-20(10-8-18)27-12-11-23-14-27/h4-14,16-17,24H,1-3H3
InChIKeyLGLRACBARNKYLL-UHFFFAOYSA-N
XLogP4.64
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)piperidin-4-yl)-1H-imidazole-5-carboxamide
CID 134612039
(S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-imidazol-1-yl)benzyl)propanamide
CID 44574375
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline
CID 162721923
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721934
N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162722194
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]benzamide
CID 162722309
N-(4-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1H-imidazol-4-yl)phenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 162722379
N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162722653
N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162722841
N-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]imidazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162722898
2-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-5-phenyl-1,3,4-oxadiazole
CID 396632
US11390631, Example 231
CID 134461157

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine (CID 17448683) is 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine is Cc1cccc(-c2nnc(C(C)NC(C)c3ccc(-n4ccnc4)cc3)o2)c1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine?
The InChIKey is LGLRACBARNKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-5-4-6-19(13-15)22-26-25-21(28-22)17(3)24-16(2)18-7-9-20(10-8-18)27-12-11-23-14-27/h4-14,16-17,24H,1-3H3.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine?
1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine has a molecular weight of 373.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-N-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine is sourced from PubChem (CID 17448683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).