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

C19H24N6O2 — CID 118779709

IUPAC1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C19H24N6O2/c1-4-24(13-17-22-18(27-23-17)11-14(2)3)19(26)21-15-7-5-8-16(12-15)25-10-6-9-20-25/h5-10,12,14H,4,11,13H2,1-3H3,(H,21,26)
InChIKeyWODLYJMOIHEECC-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.51
Rot. Bonds7

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

1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 118779709) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID118779709
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C19H24N6O2/c1-4-24(13-17-22-18(27-23-17)11-14(2)3)19(26)21-15-7-5-8-16(12-15)25-10-6-9-20-25/h5-10,12,14H,4,11,13H2,1-3H3,(H,21,26)
InChIKeyWODLYJMOIHEECC-UHFFFAOYSA-N
XLogP3.51
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea with MolForge

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Related Compounds

(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 95140902
2-[3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]carbamoyl]anilino]acetic acid
CID 46993302
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 47223913
N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide
CID 131940796
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172667244
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 51954037
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766144
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77095831

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea (CID 118779709) is 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea is CCN(Cc1noc(CC(C)C)n1)C(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is WODLYJMOIHEECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-4-24(13-17-22-18(27-23-17)11-14(2)3)19(26)21-15-7-5-8-16(12-15)25-10-6-9-20-25/h5-10,12,14H,4,11,13H2,1-3H3,(H,21,26).
What are the key properties of 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea?
1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 368.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 118779709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).