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

C10H15N5O — CID 107974454

IUPACN-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(-c2cn(C)cn2)n1
InChIInChI=1S/C10H15N5O/c1-7(2)11-4-9-13-10(16-14-9)8-5-15(3)6-12-8/h5-7,11H,4H2,1-3H3
InChIKeyKRUBOONBDNQTPX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.97
Rot. Bonds4

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

N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 107974454) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID107974454
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(-c2cn(C)cn2)n1
InChIInChI=1S/C10H15N5O/c1-7(2)11-4-9-13-10(16-14-9)8-5-15(3)6-12-8/h5-7,11H,4H2,1-3H3
InChIKeyKRUBOONBDNQTPX-UHFFFAOYSA-N
XLogP0.97
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 66126507
N-[[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 63023761
N-[[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 114022908
N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62343565
2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496065
N-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 55065816
1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 107974499
N-[[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 107992758
N-[[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 114021751
1-[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 107974506
N-[[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62342561
N-[[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 79205628

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 107974454) is N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is CC(C)NCc1noc(-c2cn(C)cn2)n1.
What is the InChIKey of N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is KRUBOONBDNQTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(2)11-4-9-13-10(16-14-9)8-5-15(3)6-12-8/h5-7,11H,4H2,1-3H3.
What are the key properties of N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 221.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 107974454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).