1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C19H19N3O4 — CID 47033950

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESO=C(NCC1Cc2ccccc2O1)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H19N3O4/c23-18(20-12-16-10-13-4-1-2-7-17(13)26-16)21-14-5-3-6-15(11-14)22-8-9-25-19(22)24/h1-7,11,16H,8-10,12H2,(H2,20,21,23)
InChIKeyTYRGIRAXBQFIKE-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.77
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 47033950) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID47033950
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESO=C(NCC1Cc2ccccc2O1)Nc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C19H19N3O4/c23-18(20-12-16-10-13-4-1-2-7-17(13)26-16)21-14-5-3-6-15(11-14)22-8-9-25-19(22)24/h1-7,11,16H,8-10,12H2,(H2,20,21,23)
InChIKeyTYRGIRAXBQFIKE-UHFFFAOYSA-N
XLogP2.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 47033950) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is O=C(NCC1Cc2ccccc2O1)Nc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is TYRGIRAXBQFIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(20-12-16-10-13-4-1-2-7-17(13)26-16)21-14-5-3-6-15(11-14)22-8-9-25-19(22)24/h1-7,11,16H,8-10,12H2,(H2,20,21,23).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 353.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 47033950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).