1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea

C19H17Cl2N3O2 — CID 46344167

IUPAC1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
SMILESCc1ccc(Cl)c(NC(=O)NCc2nc(-c3cccc(Cl)c3)oc2C)c1
InChIInChI=1S/C19H17Cl2N3O2/c1-11-6-7-15(21)16(8-11)24-19(25)22-10-17-12(2)26-18(23-17)13-4-3-5-14(20)9-13/h3-9H,10H2,1-2H3,(H2,22,24,25)
InChIKeyJRFNYVANJLYXIY-UHFFFAOYSA-N
MW390.27 g/mol
LogP5.59
Rot. Bonds4

About 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea

1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea (PubChem CID 46344167) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
PubChem CID46344167
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
SMILESCc1ccc(Cl)c(NC(=O)NCc2nc(-c3cccc(Cl)c3)oc2C)c1
InChIInChI=1S/C19H17Cl2N3O2/c1-11-6-7-15(21)16(8-11)24-19(25)22-10-17-12(2)26-18(23-17)13-4-3-5-14(20)9-13/h3-9H,10H2,1-2H3,(H2,22,24,25)
InChIKeyJRFNYVANJLYXIY-UHFFFAOYSA-N
XLogP5.59
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea with MolForge

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Related Compounds

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
1-(5-chloro-2-methylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955713
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
CID 46344154
1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955580
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20955623
N-[(4-chlorophenyl)methyl]-2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 20876760
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 110673683
4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide
CID 110673681
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20860257

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea (CID 46344167) is 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea is Cc1ccc(Cl)c(NC(=O)NCc2nc(-c3cccc(Cl)c3)oc2C)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea?
The InChIKey is JRFNYVANJLYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-11-6-7-15(21)16(8-11)24-19(25)22-10-17-12(2)26-18(23-17)13-4-3-5-14(20)9-13/h3-9H,10H2,1-2H3,(H2,22,24,25).
What are the key properties of 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea?
1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea has a molecular weight of 390.27 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea is sourced from PubChem (CID 46344167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).