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

C14H18N6O2 — CID 120865983

IUPACN-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2nc(-c3cnn(C)c3)oc2C)n1
InChIInChI=1S/C14H18N6O2/c1-8(15-3)5-11-17-14(22-19-11)12-9(2)21-13(18-12)10-6-16-20(4)7-10/h6-8,15H,5H2,1-4H3
InChIKeyICOFBZJVOCTUOF-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.58
Rot. Bonds5

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

N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 120865983) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID120865983
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2nc(-c3cnn(C)c3)oc2C)n1
InChIInChI=1S/C14H18N6O2/c1-8(15-3)5-11-17-14(22-19-11)12-9(2)21-13(18-12)10-6-16-20(4)7-10/h6-8,15H,5H2,1-4H3
InChIKeyICOFBZJVOCTUOF-UHFFFAOYSA-N
XLogP1.58
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(1-benzylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867235
N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine
CID 79778231
N-methyl-1-[5-(4-methyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137076810
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655
1-[5-(5-chloro-2-propan-2-ylpyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867596
N-methyl-1-[5-(1-methyl-5-phenylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868941
1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325190
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
5-(1-methylpyrazol-4-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342184
1-[5-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865113
N-methyl-1-[5-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120866929
N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869107

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 120865983) is N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CNC(C)Cc1noc(-c2nc(-c3cnn(C)c3)oc2C)n1.
What is the InChIKey of N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ICOFBZJVOCTUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-8(15-3)5-11-17-14(22-19-11)12-9(2)21-13(18-12)10-6-16-20(4)7-10/h6-8,15H,5H2,1-4H3.
What are the key properties of N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 302.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 120865983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).