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

C18H23N5O2 — CID 120867649

IUPACN-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCCOc1cn(-c2ccccc2)nc1-c1nc(CC(C)NC)no1
InChIInChI=1S/C18H23N5O2/c1-4-10-24-15-12-23(14-8-6-5-7-9-14)21-17(15)18-20-16(22-25-18)11-13(2)19-3/h5-9,12-13,19H,4,10-11H2,1-3H3
InChIKeyMKMYHJUWKZVCHF-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.86
Rot. Bonds8

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

N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 120867649) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID120867649
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCCOc1cn(-c2ccccc2)nc1-c1nc(CC(C)NC)no1
InChIInChI=1S/C18H23N5O2/c1-4-10-24-15-12-23(14-8-6-5-7-9-14)21-17(15)18-20-16(22-25-18)11-13(2)19-3/h5-9,12-13,19H,4,10-11H2,1-3H3
InChIKeyMKMYHJUWKZVCHF-UHFFFAOYSA-N
XLogP2.86
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 120867649) is N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCCOc1cn(-c2ccccc2)nc1-c1nc(CC(C)NC)no1.
What is the InChIKey of N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is MKMYHJUWKZVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-10-24-15-12-23(14-8-6-5-7-9-14)21-17(15)18-20-16(22-25-18)11-13(2)19-3/h5-9,12-13,19H,4,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 341.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 120867649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).