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

C14H13N3O2S — CID 2816300

IUPAC1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2csc3ccccc23)no1
InChIInChI=1S/C14H13N3O2S/c1-9-6-10(17-19-9)7-15-14(18)16-12-8-20-13-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H2,15,16,18)
InChIKeyBVFLUSOXLVVJGV-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.52
Rot. Bonds3

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

1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 2816300) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID2816300
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2csc3ccccc23)no1
InChIInChI=1S/C14H13N3O2S/c1-9-6-10(17-19-9)7-15-14(18)16-12-8-20-13-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H2,15,16,18)
InChIKeyBVFLUSOXLVVJGV-UHFFFAOYSA-N
XLogP3.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 2816300) is 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CNC(=O)Nc2csc3ccccc23)no1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is BVFLUSOXLVVJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-6-10(17-19-9)7-15-14(18)16-12-8-20-13-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H2,15,16,18).
What are the key properties of 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 287.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 2816300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).