1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea

C18H22N4O3 — CID 22305721

IUPAC1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea
SMILESCc1onc(-c2ccccc2)c1C(=O)NN(C(N)=O)C1CCCCC1
InChIInChI=1S/C18H22N4O3/c1-12-15(16(21-25-12)13-8-4-2-5-9-13)17(23)20-22(18(19)24)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H2,19,24)(H,20,23)
InChIKeyJXOALZUZCSFXOX-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.01
Rot. Bonds3

About 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea

1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea (PubChem CID 22305721) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea
PubChem CID22305721
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea
SMILESCc1onc(-c2ccccc2)c1C(=O)NN(C(N)=O)C1CCCCC1
InChIInChI=1S/C18H22N4O3/c1-12-15(16(21-25-12)13-8-4-2-5-9-13)17(23)20-22(18(19)24)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H2,19,24)(H,20,23)
InChIKeyJXOALZUZCSFXOX-UHFFFAOYSA-N
XLogP3.01
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(N-cyclohexylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235303
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119512632
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138383979
N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 154841992
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 7809111
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea?
The IUPAC name of 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea (CID 22305721) is 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea.
What is the SMILES notation for 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea?
The canonical SMILES for 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea is Cc1onc(-c2ccccc2)c1C(=O)NN(C(N)=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea?
The InChIKey is JXOALZUZCSFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-15(16(21-25-12)13-8-4-2-5-9-13)17(23)20-22(18(19)24)14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H2,19,24)(H,20,23).
What are the key properties of 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea?
1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea has a molecular weight of 342.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]urea is sourced from PubChem (CID 22305721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).