1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea

C17H17N3O4 — CID 54216008

IUPAC1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1COc2ccccc2NC1=O
InChIInChI=1S/C17H17N3O4/c1-23-14-8-4-2-6-11(14)19-17(22)20-13-10-24-15-9-5-3-7-12(15)18-16(13)21/h2-9,13H,10H2,1H3,(H,18,21)(H2,19,20,22)/t13-/m1/s1
InChIKeyPZFJCAATFFMTTE-CYBMUJFWSA-N
MW327.34 g/mol
LogP2.22
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea

1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea (PubChem CID 54216008) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea
PubChem CID54216008
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1COc2ccccc2NC1=O
InChIInChI=1S/C17H17N3O4/c1-23-14-8-4-2-6-11(14)19-17(22)20-13-10-24-15-9-5-3-7-12(15)18-16(13)21/h2-9,13H,10H2,1H3,(H,18,21)(H2,19,20,22)/t13-/m1/s1
InChIKeyPZFJCAATFFMTTE-CYBMUJFWSA-N
XLogP2.22
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 100746880
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CID 51168449
N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164538
2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
CID 167985786
1-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-(2-methoxyphenyl)urea
CID 97352613
1-(2-methoxyphenyl)-3-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]urea
CID 40743676
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
tert-butyl N-[(3S)-7,8-dimethoxy-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate
CID 157046169
[3-oxo-3-[[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]amino]prop-1-en-2-yl] N-methyl-2-phenylethanimidate
CID 134354034
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea (CID 54216008) is 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea is COc1ccccc1NC(=O)N[C@@H]1COc2ccccc2NC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea?
The InChIKey is PZFJCAATFFMTTE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-14-8-4-2-6-11(14)19-17(22)20-13-10-24-15-9-5-3-7-12(15)18-16(13)21/h2-9,13H,10H2,1H3,(H,18,21)(H2,19,20,22)/t13-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea?
1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea has a molecular weight of 327.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]urea is sourced from PubChem (CID 54216008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).