1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C14H17N3O3 — CID 47021762

IUPAC1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOC(CNC(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-10-8-13(17-20-10)16-14(18)15-9-12(19-2)11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyDCYXZDPZTFVJAY-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.49
Rot. Bonds5

About 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 47021762) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID47021762
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOC(CNC(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C14H17N3O3/c1-10-8-13(17-20-10)16-14(18)15-9-12(19-2)11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyDCYXZDPZTFVJAY-UHFFFAOYSA-N
XLogP2.49
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101864
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 97417837
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 38282989
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
N-(2-methoxy-2-phenylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 47187692
2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 155149410
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
1-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014420
(2R)-2-(2-methoxy-4-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40882138
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 47021762) is 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is COC(CNC(=O)Nc1cc(C)on1)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is DCYXZDPZTFVJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-8-13(17-20-10)16-14(18)15-9-12(19-2)11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 275.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 47021762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).