1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea

C22H17N3O4 — CID 58616068

IUPAC1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C22H17N3O4/c1-28-15-8-6-7-14(13-15)23-22(27)25-18-11-4-2-9-16(18)20-24-19-12-5-3-10-17(19)21(26)29-20/h2-13H,1H3,(H2,23,25,27)
InChIKeyRMABLOKWAPDTPO-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.51
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea

1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea (PubChem CID 58616068) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
PubChem CID58616068
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C22H17N3O4/c1-28-15-8-6-7-14(13-15)23-22(27)25-18-11-4-2-9-16(18)20-24-19-12-5-3-10-17(19)21(26)29-20/h2-13H,1H3,(H2,23,25,27)
InChIKeyRMABLOKWAPDTPO-UHFFFAOYSA-N
XLogP4.51
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616063
1-(4-ethoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616073
2-methoxy-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 143844116
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626924
2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 825300
[3-[[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]naphthalen-2-yl] acetate
CID 143844163
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-3-methoxybenzamide
CID 5113548
2-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 2996600
molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
CID 143844150
9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
CID 143844115
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pyrazine-2-carboxamide
CID 143844190

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea (CID 58616068) is 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea is COc1cccc(NC(=O)Nc2ccccc2-c2nc3ccccc3c(=O)o2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea?
The InChIKey is RMABLOKWAPDTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-28-15-8-6-7-14(13-15)23-22(27)25-18-11-4-2-9-16(18)20-24-19-12-5-3-10-17(19)21(26)29-20/h2-13H,1H3,(H2,23,25,27).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea?
1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea has a molecular weight of 387.40 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea is sourced from PubChem (CID 58616068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).