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

C13H14ClN3O2 — CID 47125477

IUPAC1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N(C)Cc2ccccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2/c1-9-7-12(16-19-9)15-13(18)17(2)8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyMMAINWUBMONERM-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.30
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 47125477) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID47125477
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)N(C)Cc2ccccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2/c1-9-7-12(16-19-9)15-13(18)17(2)8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,16,18)
InChIKeyMMAINWUBMONERM-UHFFFAOYSA-N
XLogP3.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31146125
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea
CID 18101661
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24506904
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 24528551
4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 110614657
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962769
(2S)-2-[(2-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94651832
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560962
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51282265

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 47125477) is 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)N(C)Cc2ccccc2Cl)no1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is MMAINWUBMONERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-9-7-12(16-19-9)15-13(18)17(2)8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,16,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 279.73 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 47125477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).