1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea

C13H15N3O3 — CID 108812054

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
SMILESCOc1ccccc1CCNC(=O)Nc1ccon1
InChIInChI=1S/C13H15N3O3/c1-18-11-5-3-2-4-10(11)6-8-14-13(17)15-12-7-9-19-16-12/h2-5,7,9H,6,8H2,1H3,(H2,14,15,16,17)
InChIKeyLXEYNVSVZDLUKG-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea

1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 108812054) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
PubChem CID108812054
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
SMILESCOc1ccccc1CCNC(=O)Nc1ccon1
InChIInChI=1S/C13H15N3O3/c1-18-11-5-3-2-4-10(11)6-8-14-13(17)15-12-7-9-19-16-12/h2-5,7,9H,6,8H2,1H3,(H2,14,15,16,17)
InChIKeyLXEYNVSVZDLUKG-UHFFFAOYSA-N
XLogP2.05
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 18588609
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 110606666
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
CID 108899866
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea (CID 108812054) is 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea is COc1ccccc1CCNC(=O)Nc1ccon1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea?
The InChIKey is LXEYNVSVZDLUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-11-5-3-2-4-10(11)6-8-14-13(17)15-12-7-9-19-16-12/h2-5,7,9H,6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea has a molecular weight of 261.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).