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

C14H23N5O — CID 120865879

IUPACN-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(CCn2ccnc2C(C)C)n1
InChIInChI=1S/C14H23N5O/c1-10(2)14-16-6-8-19(14)7-5-13-17-12(18-20-13)9-11(3)15-4/h6,8,10-11,15H,5,7,9H2,1-4H3
InChIKeyFLXSZTAEMMVIJF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.78
Rot. Bonds7

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

N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 120865879) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID120865879
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(CCn2ccnc2C(C)C)n1
InChIInChI=1S/C14H23N5O/c1-10(2)14-16-6-8-19(14)7-5-13-17-12(18-20-13)9-11(3)15-4/h6,8,10-11,15H,5,7,9H2,1-4H3
InChIKeyFLXSZTAEMMVIJF-UHFFFAOYSA-N
XLogP1.78
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851688
5,6-dimethyl-3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 120866960
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55857924
3-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 120869269
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
N-methyl-1-[5-[2-(4-methylsulfonylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868199
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
N-methyl-1-[5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866934
1-[5-[2-(4-methoxyphenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866147
N-methyl-1-[5-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120866812
1-[5-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867011

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 120865879) is N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CNC(C)Cc1noc(CCn2ccnc2C(C)C)n1.
What is the InChIKey of N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is FLXSZTAEMMVIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)14-16-6-8-19(14)7-5-13-17-12(18-20-13)9-11(3)15-4/h6,8,10-11,15H,5,7,9H2,1-4H3.
What are the key properties of N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 277.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 120865879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).