3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine

C16H19N5O — CID 171912724

IUPAC3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCN(CCCn1ccnc1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H19N5O/c1-20(9-5-10-21-11-8-17-13-21)12-15-18-16(19-22-15)14-6-3-2-4-7-14/h2-4,6-8,11,13H,5,9-10,12H2,1H3
InChIKeySENSGGRYWGRQKD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.46
Rot. Bonds7

About 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine

3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (PubChem CID 171912724) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
PubChem CID171912724
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCN(CCCn1ccnc1)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C16H19N5O/c1-20(9-5-10-21-11-8-17-13-21)12-15-18-16(19-22-15)14-6-3-2-4-7-14/h2-4,6-8,11,13H,5,9-10,12H2,1H3
InChIKeySENSGGRYWGRQKD-UHFFFAOYSA-N
XLogP2.46
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51331174
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CID 71176034
3-(1-imidazol-1-ylbutan-2-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 121496407
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
CID 8593214
3-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 61010785
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]benzenecarbothioamide
CID 62967905
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 75483099
N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 70757916
3,4-difluoro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86831668
1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 8924238
N-methyl-2-(4-methylphenyl)sulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874866
5-(2-imidazol-1-ylethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (CID 171912724) is 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is CN(CCCn1ccnc1)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is SENSGGRYWGRQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-20(9-5-10-21-11-8-17-13-21)12-15-18-16(19-22-15)14-6-3-2-4-7-14/h2-4,6-8,11,13H,5,9-10,12H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 171912724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).