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

C14H23N5O — CID 91834068

IUPACN-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCC(C)c1nnc(CN(C)CCCc2nccn2C)o1
InChIInChI=1S/C14H23N5O/c1-11(2)14-17-16-13(20-14)10-18(3)8-5-6-12-15-7-9-19(12)4/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyDTPKLRGZYMOCGV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.99
Rot. Bonds7

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

N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (PubChem CID 91834068) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
PubChem CID91834068
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCC(C)c1nnc(CN(C)CCCc2nccn2C)o1
InChIInChI=1S/C14H23N5O/c1-11(2)14-17-16-13(20-14)10-18(3)8-5-6-12-15-7-9-19(12)4/h7,9,11H,5-6,8,10H2,1-4H3
InChIKeyDTPKLRGZYMOCGV-UHFFFAOYSA-N
XLogP1.99
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
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CID 79761341
N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 77095726
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (CID 91834068) is N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is CC(C)c1nnc(CN(C)CCCc2nccn2C)o1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is DTPKLRGZYMOCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(2)14-17-16-13(20-14)10-18(3)8-5-6-12-15-7-9-19(12)4/h7,9,11H,5-6,8,10H2,1-4H3.
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 1.99, 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-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 91834068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).