1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea

C20H19N3O4 — CID 126792890

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc2c(c1)OCCO2)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H19N3O4/c1-13(19-21-12-18(27-19)14-5-3-2-4-6-14)22-20(24)23-15-7-8-16-17(11-15)26-10-9-25-16/h2-8,11-13H,9-10H2,1H3,(H2,22,23,24)
InChIKeyROWMOHCMAIISSD-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.00
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea (PubChem CID 126792890) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea
PubChem CID126792890
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc2c(c1)OCCO2)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H19N3O4/c1-13(19-21-12-18(27-19)14-5-3-2-4-6-14)22-20(24)23-15-7-8-16-17(11-15)26-10-9-25-16/h2-8,11-13H,9-10H2,1H3,(H2,22,23,24)
InChIKeyROWMOHCMAIISSD-UHFFFAOYSA-N
XLogP4.00
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methylphenyl)ethyl]urea
CID 87008854
1-[1-(4-chlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 17182454
1-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 164640190
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-hydroxypropanoic acid
CID 80753547
1-(1,3-benzodioxol-5-yl)-3-[1-(2-methylphenyl)ethyl]urea
CID 51301780
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 18569095
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)urea
CID 17182096
1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methylbutanoic acid
CID 81066358
1-(3-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 17182100
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
cyclopentane;1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-3-yl]-3-(4-phenylphenyl)urea
CID 143934902

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea (CID 126792890) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea is CC(NC(=O)Nc1ccc2c(c1)OCCO2)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea?
The InChIKey is ROWMOHCMAIISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(19-21-12-18(27-19)14-5-3-2-4-6-14)22-20(24)23-15-7-8-16-17(11-15)26-10-9-25-16/h2-8,11-13H,9-10H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea has a molecular weight of 365.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea is sourced from PubChem (CID 126792890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).