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

C12H19N5O — CID 118790858

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCCCN(Cc1nc(C)no1)Cc1nccn1C
InChIInChI=1S/C12H19N5O/c1-4-6-17(8-11-13-5-7-16(11)3)9-12-14-10(2)15-18-12/h5,7H,4,6,8-9H2,1-3H3
InChIKeySCHRSYSRADYICJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.52
Rot. Bonds6

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

N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (PubChem CID 118790858) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
PubChem CID118790858
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCCCN(Cc1nc(C)no1)Cc1nccn1C
InChIInChI=1S/C12H19N5O/c1-4-6-17(8-11-13-5-7-16(11)3)9-12-14-10(2)15-18-12/h5,7H,4,6,8-9H2,1-3H3
InChIKeySCHRSYSRADYICJ-UHFFFAOYSA-N
XLogP1.52
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63013239
1-[2-[bis[(1-methylimidazol-2-yl)methyl]amino]ethyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 66810197
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79714567
1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone
CID 58154929
N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 88977391
ethyl 2-[bis[(1-methylimidazol-2-yl)methyl]amino]acetate
CID 11197077
ethyl 2-[[[4-[2-[4-[(dipropylamino)methyl]phenyl]acetyl]phenyl]methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazole-1-carboxylate
CID 58154949
N-[[4-[[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl-methylamino]methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 11950442
2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol
CID 91842946
methyl 2-[[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl-[4-(dipropylamino)butyl]amino]acetate
CID 67103541
3-[ethyl-[(1-methylimidazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62852079
azane;1-methyl-2-propylimidazole
CID 174525892

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (CID 118790858) is N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is CCCN(Cc1nc(C)no1)Cc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is SCHRSYSRADYICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-6-17(8-11-13-5-7-16(11)3)9-12-14-10(2)15-18-12/h5,7H,4,6,8-9H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 1.52, 6 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 118790858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).