1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea

C11H11N3O2 — CID 108811855

IUPAC1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCc1cccc(NC(=O)Nc2ccon2)c1
InChIInChI=1S/C11H11N3O2/c1-8-3-2-4-9(7-8)12-11(15)13-10-5-6-16-14-10/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyJTAMMXPAIJTMIC-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.63
Rot. Bonds2

About 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea

1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811855) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID108811855
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCc1cccc(NC(=O)Nc2ccon2)c1
InChIInChI=1S/C11H11N3O2/c1-8-3-2-4-9(7-8)12-11(15)13-10-5-6-16-14-10/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyJTAMMXPAIJTMIC-UHFFFAOYSA-N
XLogP2.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)phenyl]-3-(1,2-oxazol-3-yl)urea
CID 108811956
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide
CID 6467231
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6470703
1-(2,6-diethylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811838
1-(5-bromo-4-methyl-2-pyridinyl)-3-(3-methylphenyl)urea
CID 79729955

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea (CID 108811855) is 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea is Cc1cccc(NC(=O)Nc2ccon2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is JTAMMXPAIJTMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-3-2-4-9(7-8)12-11(15)13-10-5-6-16-14-10/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea?
1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea has a molecular weight of 217.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).