1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea

C14H17N3O5 — CID 2307827

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cc(C)on2)cc(OC)c1OC
InChIInChI=1S/C14H17N3O5/c1-8-5-12(17-22-8)16-14(18)15-9-6-10(19-2)13(21-4)11(7-9)20-3/h5-7H,1-4H3,(H2,15,16,17,18)
InChIKeyWYWFIQQSJMGQEE-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.65
Rot. Bonds5

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea

1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 2307827) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID2307827
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cc(C)on2)cc(OC)c1OC
InChIInChI=1S/C14H17N3O5/c1-8-5-12(17-22-8)16-14(18)15-9-6-10(19-2)13(21-4)11(7-9)20-3/h5-7H,1-4H3,(H2,15,16,17,18)
InChIKeyWYWFIQQSJMGQEE-UHFFFAOYSA-N
XLogP2.65
TPSA94.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea (CID 2307827) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cc(C)on2)cc(OC)c1OC.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is WYWFIQQSJMGQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-8-5-12(17-22-8)16-14(18)15-9-6-10(19-2)13(21-4)11(7-9)20-3/h5-7H,1-4H3,(H2,15,16,17,18).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 307.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 2307827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).