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

C17H21N5O — CID 91837449

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCN(Cc1nnc(-c2ccccc2)o1)Cc1nccn1C
InChIInChI=1S/C17H21N5O/c1-3-10-22(12-15-18-9-11-21(15)2)13-16-19-20-17(23-16)14-7-5-4-6-8-14/h4-9,11H,3,10,12-13H2,1-2H3
InChIKeyRRNFRMCDFWGFLQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.88
Rot. Bonds7

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

N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (PubChem CID 91837449) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
PubChem CID91837449
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCN(Cc1nnc(-c2ccccc2)o1)Cc1nccn1C
InChIInChI=1S/C17H21N5O/c1-3-10-22(12-15-18-9-11-21(15)2)13-16-19-20-17(23-16)14-7-5-4-6-8-14/h4-9,11H,3,10,12-13H2,1-2H3
InChIKeyRRNFRMCDFWGFLQ-UHFFFAOYSA-N
XLogP2.88
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (CID 91837449) is N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is CCCN(Cc1nnc(-c2ccccc2)o1)Cc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is RRNFRMCDFWGFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-10-22(12-15-18-9-11-21(15)2)13-16-19-20-17(23-16)14-7-5-4-6-8-14/h4-9,11H,3,10,12-13H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 311.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 91837449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).