3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea

C24H18Cl2N4O3 — CID 3695427

IUPAC3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18Cl2N4O3/c1-15-20(22(29-33-15)21-18(25)13-8-14-19(21)26)23(31)27-28-24(32)30(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,1H3,(H,27,31)(H,28,32)
InChIKeyJGIOEZSHVVGRFL-UHFFFAOYSA-N
MW481.34 g/mol
LogP6.15
Rot. Bonds4

About 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea

3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea (PubChem CID 3695427) has the molecular formula C24H18Cl2N4O3 and a molecular weight of 481.34 g/mol. Its IUPAC name is 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea.

Molecular Properties

Compound Name3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea
PubChem CID3695427
Molecular FormulaC24H18Cl2N4O3
Molecular Weight481.34 g/mol
Exact Mass480.08
IUPAC Name3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18Cl2N4O3/c1-15-20(22(29-33-15)21-18(25)13-8-14-19(21)26)23(31)27-28-24(32)30(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,1H3,(H,27,31)(H,28,32)
InChIKeyJGIOEZSHVVGRFL-UHFFFAOYSA-N
XLogP6.15
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.34
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea 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-tert-butyl-3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]urea
CID 2798113
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
3-(2,6-dichlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]-5-methyl-1,2-oxazole-4-carbohydrazide
CID 55572324
3-(2-chloro-6-fluorophenyl)-N'-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 2812891
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929
N-[[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]carbamoyl]-4-nitrobenzamide
CID 4617530
3-(2,6-dichlorophenyl)-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
CID 2886297
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-[4-(trifluoromethyl)benzoyl]-1,2-oxazole-4-carbohydrazide
CID 2814674
N'-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 56687847
3-(2,6-dichlorophenyl)-5-methyl-N'-(2-nitrobenzenecarbothioyl)-1,2-oxazole-4-carbohydrazide
CID 10138847

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea?
The IUPAC name of 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea (CID 3695427) is 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea.
What is the SMILES notation for 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea?
The canonical SMILES for 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea?
The InChIKey is JGIOEZSHVVGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O3/c1-15-20(22(29-33-15)21-18(25)13-8-14-19(21)26)23(31)27-28-24(32)30(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,1H3,(H,27,31)(H,28,32).
What are the key properties of 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea?
3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea has a molecular weight of 481.34 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,1-diphenylurea is sourced from PubChem (CID 3695427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).