N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C20H22ClN5O2 — CID 120869107

IUPACN-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2cn(-c3ccccc3)nc2-c2ccc(C)o2)n1.Cl
InChIInChI=1S/C20H21N5O2.ClH/c1-13(21-3)11-18-22-20(27-24-18)16-12-25(15-7-5-4-6-8-15)23-19(16)17-10-9-14(2)26-17;/h4-10,12-13,21H,11H2,1-3H3;1H
InChIKeyONQLASRMBPTXPE-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.06
Rot. Bonds6

About N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 120869107) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
PubChem CID120869107
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC NameN-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2cn(-c3ccccc3)nc2-c2ccc(C)o2)n1.Cl
InChIInChI=1S/C20H21N5O2.ClH/c1-13(21-3)11-18-22-20(27-24-18)16-12-25(15-7-5-4-6-8-15)23-19(16)17-10-9-14(2)26-17;/h4-10,12-13,21H,11H2,1-3H3;1H
InChIKeyONQLASRMBPTXPE-UHFFFAOYSA-N
XLogP4.06
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride 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-(4-ethoxy-1-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867679
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867648
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867649
1-[5-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867655
1-[5-[4-bromo-1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867125
1-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866887
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067
N-methyl-1-[5-[2-(tetrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865123
1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120869161
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 166237340
N-methyl-1-[5-(1-methyl-5-phenylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868941
N-methyl-1-[5-(4-methyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137076810

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The IUPAC name of 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) is N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(-c2cn(-c3ccccc3)nc2-c2ccc(C)o2)n1.Cl.
What is the InChIKey of N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
The InChIKey is ONQLASRMBPTXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.ClH/c1-13(21-3)11-18-22-20(27-24-18)16-12-25(15-7-5-4-6-8-15)23-19(16)17-10-9-14(2)26-17;/h4-10,12-13,21H,11H2,1-3H3;1H.
What are the key properties of N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?
N-methyl-1-[5-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 399.88 g/mol, XLogP of 4.06, 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-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120869107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).