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

C12H12ClN3O2 — CID 110747513

IUPAC1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H12ClN3O2/c1-8-6-11(16-18-8)7-14-12(17)15-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H2,14,15,17)
InChIKeyDRALQHCJNYFEOJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.96
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 110747513) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID110747513
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H12ClN3O2/c1-8-6-11(16-18-8)7-14-12(17)15-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H2,14,15,17)
InChIKeyDRALQHCJNYFEOJ-UHFFFAOYSA-N
XLogP2.96
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51093356
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 49282481
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
N-[2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 118777640
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 130290213
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068
1-(5-methyl-2-methylsulfonylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47749223
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47745684

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 110747513) is 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)Nc2ccc(Cl)cc2)no1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is DRALQHCJNYFEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-8-6-11(16-18-8)7-14-12(17)15-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H2,14,15,17).
What are the key properties of 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 265.70 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 110747513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).