N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C14H21N5O2 — CID 91840155

IUPACN-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCc1nccn1CCN(C)Cc1noc(C2CCCO2)n1
InChIInChI=1S/C14H21N5O2/c1-11-15-5-6-19(11)8-7-18(2)10-13-16-14(21-17-13)12-4-3-9-20-12/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeyPQOCVWSBVVAMHF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.56
Rot. Bonds6

About N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 91840155) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID91840155
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCc1nccn1CCN(C)Cc1noc(C2CCCO2)n1
InChIInChI=1S/C14H21N5O2/c1-11-15-5-6-19(11)8-7-18(2)10-13-16-14(21-17-13)12-4-3-9-20-12/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeyPQOCVWSBVVAMHF-UHFFFAOYSA-N
XLogP1.56
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 91840155) is N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is Cc1nccn1CCN(C)Cc1noc(C2CCCO2)n1.
What is the InChIKey of N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is PQOCVWSBVVAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11-15-5-6-19(11)8-7-18(2)10-13-16-14(21-17-13)12-4-3-9-20-12/h5-6,12H,3-4,7-10H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 291.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 91840155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).