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

C15H18N6O — CID 120867699

IUPACN-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2ccccc2Cn2cncn2)n1
InChIInChI=1S/C15H18N6O/c1-11(16-2)7-14-19-15(22-20-14)13-6-4-3-5-12(13)8-21-10-17-9-18-21/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeyPRWZQGLHOWMRLF-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.53
Rot. Bonds6

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

N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 120867699) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID120867699
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2ccccc2Cn2cncn2)n1
InChIInChI=1S/C15H18N6O/c1-11(16-2)7-14-19-15(22-20-14)13-6-4-3-5-12(13)8-21-10-17-9-18-21/h3-6,9-11,16H,7-8H2,1-2H3
InChIKeyPRWZQGLHOWMRLF-UHFFFAOYSA-N
XLogP1.53
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655
N-methyl-1-[5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865123
N-methyl-1-[5-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120869514
1-[5-(1-benzylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867235
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 166237340
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067
N-methyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylbenzenesulfonamide;hydrochloride
CID 120869121
N-methyl-1-[5-(2-propylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867452
N-methyl-1-[5-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867495
1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866510
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 120867699) is N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CNC(C)Cc1noc(-c2ccccc2Cn2cncn2)n1.
What is the InChIKey of N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is PRWZQGLHOWMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(16-2)7-14-19-15(22-20-14)13-6-4-3-5-12(13)8-21-10-17-9-18-21/h3-6,9-11,16H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 298.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 120867699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).