1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C17H20N6O2 — CID 71967479

IUPAC1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC(C)c2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C17H20N6O2/c1-12(20-17(24)18-9-16-21-13(2)25-22-16)15-8-19-23(11-15)10-14-6-4-3-5-7-14/h3-8,11-12H,9-10H2,1-2H3,(H2,18,20,24)
InChIKeyQLWMLZUNHRJBOZ-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.18
Rot. Bonds6

About 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 71967479) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID71967479
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)NC(C)c2cnn(Cc3ccccc3)c2)no1
InChIInChI=1S/C17H20N6O2/c1-12(20-17(24)18-9-16-21-13(2)25-22-16)15-8-19-23(11-15)10-14-6-4-3-5-7-14/h3-8,11-12H,9-10H2,1-2H3,(H2,18,20,24)
InChIKeyQLWMLZUNHRJBOZ-UHFFFAOYSA-N
XLogP2.18
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-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-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507731
1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854952
1-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854951
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 86996888
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
CID 94166163
N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97244198
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)methyl]urea
CID 154858095
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 86996629
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 75390009
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106392043
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 71967479) is 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)NC(C)c2cnn(Cc3ccccc3)c2)no1.
What is the InChIKey of 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is QLWMLZUNHRJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12(20-17(24)18-9-16-21-13(2)25-22-16)15-8-19-23(11-15)10-14-6-4-3-5-7-14/h3-8,11-12H,9-10H2,1-2H3,(H2,18,20,24).
What are the key properties of 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 340.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 71967479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).