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

C18H23N5O — CID 91835364

IUPACN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine
SMILESCc1ccc(-c2nc(CN(C)CCCc3nccn3C)no2)cc1
InChIInChI=1S/C18H23N5O/c1-14-6-8-15(9-7-14)18-20-16(21-24-18)13-22(2)11-4-5-17-19-10-12-23(17)3/h6-10,12H,4-5,11,13H2,1-3H3
InChIKeyKDGCRCVAETZWNG-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.84
Rot. Bonds7

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

N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine (PubChem CID 91835364) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine
PubChem CID91835364
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine
SMILESCc1ccc(-c2nc(CN(C)CCCc3nccn3C)no2)cc1
InChIInChI=1S/C18H23N5O/c1-14-6-8-15(9-7-14)18-20-16(21-24-18)13-22(2)11-4-5-17-19-10-12-23(17)3/h6-10,12H,4-5,11,13H2,1-3H3
InChIKeyKDGCRCVAETZWNG-UHFFFAOYSA-N
XLogP2.84
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine (CID 91835364) is N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine is Cc1ccc(-c2nc(CN(C)CCCc3nccn3C)no2)cc1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine?
The InChIKey is KDGCRCVAETZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-6-8-15(9-7-14)18-20-16(21-24-18)13-22(2)11-4-5-17-19-10-12-23(17)3/h6-10,12H,4-5,11,13H2,1-3H3.
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine has a molecular weight of 325.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 91835364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).