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

C12H13N3O2 — CID 108814230

IUPAC1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea
SMILESCc1ccccc1CNC(=O)Nc1ccno1
InChIInChI=1S/C12H13N3O2/c1-9-4-2-3-5-10(9)8-13-12(16)15-11-6-7-14-17-11/h2-7H,8H2,1H3,(H2,13,15,16)
InChIKeyUUXGSIWUXHRSDU-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.30
Rot. Bonds3

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

1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814230) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea
PubChem CID108814230
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea
SMILESCc1ccccc1CNC(=O)Nc1ccno1
InChIInChI=1S/C12H13N3O2/c1-9-4-2-3-5-10(9)8-13-12(16)15-11-6-7-14-17-11/h2-7H,8H2,1H3,(H2,13,15,16)
InChIKeyUUXGSIWUXHRSDU-UHFFFAOYSA-N
XLogP2.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
methyl 2-(1,2-oxazol-5-ylcarbamoylamino)benzoate
CID 108814002
1-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98000588
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307
2-(1,2-oxazol-5-ylcarbamoylamino)benzamide
CID 108814132
1-(1,2-oxazol-5-yl)-3-(2,4,6-trimethylphenyl)urea
CID 108814001
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]propanoic acid
CID 66167152

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea (CID 108814230) is 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea is Cc1ccccc1CNC(=O)Nc1ccno1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea?
The InChIKey is UUXGSIWUXHRSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-4-2-3-5-10(9)8-13-12(16)15-11-6-7-14-17-11/h2-7H,8H2,1H3,(H2,13,15,16).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea?
1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea has a molecular weight of 231.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).