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

C12H19N5O — CID 114204770

IUPACN-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1nc(CCn2cnc(CNC(C)C)c2)no1
InChIInChI=1S/C12H19N5O/c1-9(2)13-6-11-7-17(8-14-11)5-4-12-15-10(3)18-16-12/h7-9,13H,4-6H2,1-3H3
InChIKeyRZJCALVWQYPJPB-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.32
Rot. Bonds6

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

N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 114204770) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID114204770
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1nc(CCn2cnc(CNC(C)C)c2)no1
InChIInChI=1S/C12H19N5O/c1-9(2)13-6-11-7-17(8-14-11)5-4-12-15-10(3)18-16-12/h7-9,13H,4-6H2,1-3H3
InChIKeyRZJCALVWQYPJPB-UHFFFAOYSA-N
XLogP1.32
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719484
N-[[1-(2-tert-butylsulfanylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114271401
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719505
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719449
N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
CID 155582672
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719440
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine (CID 114204770) is N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine is Cc1nc(CCn2cnc(CNC(C)C)c2)no1.
What is the InChIKey of N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is RZJCALVWQYPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)13-6-11-7-17(8-14-11)5-4-12-15-10(3)18-16-12/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114204770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).