3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea

C19H19Cl2N3O2 — CID 142449779

IUPAC3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea
SMILESCc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCC(C)O2)cc1C
InChIInChI=1S/C19H19Cl2N3O2/c1-11-4-6-15(8-12(11)2)24(19-22-10-13(3)26-19)18(25)23-14-5-7-16(20)17(21)9-14/h4-9,13H,10H2,1-3H3,(H,23,25)
InChIKeyPKQUMXHIXPLFJN-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.42
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea

3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea (PubChem CID 142449779) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea
PubChem CID142449779
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea
SMILESCc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCC(C)O2)cc1C
InChIInChI=1S/C19H19Cl2N3O2/c1-11-4-6-15(8-12(11)2)24(19-22-10-13(3)26-19)18(25)23-14-5-7-16(20)17(21)9-14/h4-9,13H,10H2,1-3H3,(H,23,25)
InChIKeyPKQUMXHIXPLFJN-UHFFFAOYSA-N
XLogP5.42
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 142449793
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 588270
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
N-(3,4-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 142449772
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2653002
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
(3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate
CID 142449754
1-(3,4-dichlorophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543572

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea (CID 142449779) is 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea is Cc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCC(C)O2)cc1C.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea?
The InChIKey is PKQUMXHIXPLFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11-4-6-15(8-12(11)2)24(19-22-10-13(3)26-19)18(25)23-14-5-7-16(20)17(21)9-14/h4-9,13H,10H2,1-3H3,(H,23,25).
What are the key properties of 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea?
3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea has a molecular weight of 392.29 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 142449779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).