1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea

C18H19N3O2 — CID 14709281

IUPAC1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea
SMILESCC1CCN=C(N(C(=O)Nc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C18H19N3O2/c1-14-12-13-19-18(23-14)21(16-10-6-3-7-11-16)17(22)20-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,20,22)
InChIKeyCFNLMDPERIIUIG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.89
Rot. Bonds2

About 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea

1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea (PubChem CID 14709281) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea.

Molecular Properties

Compound Name1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea
PubChem CID14709281
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea
SMILESCC1CCN=C(N(C(=O)Nc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C18H19N3O2/c1-14-12-13-19-18(23-14)21(16-10-6-3-7-11-16)17(22)20-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,20,22)
InChIKeyCFNLMDPERIIUIG-UHFFFAOYSA-N
XLogP3.89
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
CID 40577280
3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea
CID 42587045
(2S,3S)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7246479
1-(5-ethenylpyrimidin-2-yl)-1,3-diphenylurea
CID 59306221
1,1-diphenyl-3-(phenylcarbamoyl)urea
CID 71359478
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
3-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)urea
CID 142449779
1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
CID 68639358
N,N',N'-triphenyloxamide
CID 54357836
1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea
CID 921968
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea
CID 18575230

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea?
The IUPAC name of 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea (CID 14709281) is 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea.
What is the SMILES notation for 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea?
The canonical SMILES for 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea is CC1CCN=C(N(C(=O)Nc2ccccc2)c2ccccc2)O1.
What is the InChIKey of 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea?
The InChIKey is CFNLMDPERIIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14-12-13-19-18(23-14)21(16-10-6-3-7-11-16)17(22)20-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,20,22).
What are the key properties of 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea?
1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea has a molecular weight of 309.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea is sourced from PubChem (CID 14709281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).