3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide

C21H28N6O3 — CID 170509361

IUPAC3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide
SMILESCOc1ccc(CN(C)Cc2nc(C(C)C)no2)cc1-c1cnn(CCC(N)=O)c1
InChIInChI=1S/C21H28N6O3/c1-14(2)21-24-20(30-25-21)13-26(3)11-15-5-6-18(29-4)17(9-15)16-10-23-27(12-16)8-7-19(22)28/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3,(H2,22,28)
InChIKeyOZVMSIAMCOCMMO-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.57
Rot. Bonds10

About 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide

3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide (PubChem CID 170509361) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide
PubChem CID170509361
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide
SMILESCOc1ccc(CN(C)Cc2nc(C(C)C)no2)cc1-c1cnn(CCC(N)=O)c1
InChIInChI=1S/C21H28N6O3/c1-14(2)21-24-20(30-25-21)13-26(3)11-15-5-6-18(29-4)17(9-15)16-10-23-27(12-16)8-7-19(22)28/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3,(H2,22,28)
InChIKeyOZVMSIAMCOCMMO-UHFFFAOYSA-N
XLogP2.57
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide 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 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide (CID 170509361) is 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide is COc1ccc(CN(C)Cc2nc(C(C)C)no2)cc1-c1cnn(CCC(N)=O)c1.
What is the InChIKey of 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide?
The InChIKey is OZVMSIAMCOCMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-14(2)21-24-20(30-25-21)13-26(3)11-15-5-6-18(29-4)17(9-15)16-10-23-27(12-16)8-7-19(22)28/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3,(H2,22,28).
What are the key properties of 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide?
3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide has a molecular weight of 412.49 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 170509361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).