1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea

C19H24N6O2 — CID 119062779

IUPAC1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea
SMILESCC(C)Cc1nc(CN(C)C(=O)NCc2cn[nH]c2-c2ccccc2)no1
InChIInChI=1S/C19H24N6O2/c1-13(2)9-17-22-16(24-27-17)12-25(3)19(26)20-10-15-11-21-23-18(15)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,26)(H,21,23)
InChIKeyKZGWIJHAMUGGGS-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.00
Rot. Bonds7

About 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea

1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea (PubChem CID 119062779) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea
PubChem CID119062779
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea
SMILESCC(C)Cc1nc(CN(C)C(=O)NCc2cn[nH]c2-c2ccccc2)no1
InChIInChI=1S/C19H24N6O2/c1-13(2)9-17-22-16(24-27-17)12-25(3)19(26)20-10-15-11-21-23-18(15)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,26)(H,21,23)
InChIKeyKZGWIJHAMUGGGS-UHFFFAOYSA-N
XLogP3.00
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea 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-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72871125
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 46984703
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122558814
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 131898274
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
1-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[3-(2H-tetrazol-5-yl)phenyl]methyl]urea
CID 122567908
methyl (2S)-3-methyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 61142712
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 28769271
2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62637246
3-[3-[ethyl(methyl)amino]butyl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122569685

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea (CID 119062779) is 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea is CC(C)Cc1nc(CN(C)C(=O)NCc2cn[nH]c2-c2ccccc2)no1.
What is the InChIKey of 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea?
The InChIKey is KZGWIJHAMUGGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13(2)9-17-22-16(24-27-17)12-25(3)19(26)20-10-15-11-21-23-18(15)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,26)(H,21,23).
What are the key properties of 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea?
1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea has a molecular weight of 368.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(5-phenyl-1H-pyrazol-4-yl)methyl]urea is sourced from PubChem (CID 119062779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).