1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea

C19H17N3O4 — CID 78893273

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
SMILESCC(NC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cc2ccccc2o1
InChIInChI=1S/C19H17N3O4/c1-11(16-8-12-4-2-3-5-15(12)26-16)20-19(24)21-13-6-7-14-17(9-13)25-10-18(23)22-14/h2-9,11H,10H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyVJAPVPFWFWFVGU-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.65
Rot. Bonds3

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea (PubChem CID 78893273) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
PubChem CID78893273
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
SMILESCC(NC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cc2ccccc2o1
InChIInChI=1S/C19H17N3O4/c1-11(16-8-12-4-2-3-5-15(12)26-16)20-19(24)21-13-6-7-14-17(9-13)25-10-18(23)22-14/h2-9,11H,10H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyVJAPVPFWFWFVGU-UHFFFAOYSA-N
XLogP3.65
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893226
1-(2-methyl-1-phenylpropyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893280
1-(3-methylbutyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893078
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 94120490
1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 154754509
1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea
CID 134056773
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
CID 59802843
4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
CID 60569859
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
CID 110226362
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea (CID 78893273) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea is CC(NC(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea?
The InChIKey is VJAPVPFWFWFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11(16-8-12-4-2-3-5-15(12)26-16)20-19(24)21-13-6-7-14-17(9-13)25-10-18(23)22-14/h2-9,11H,10H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea has a molecular weight of 351.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea is sourced from PubChem (CID 78893273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).