1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea

C16H21N3O3 — CID 110774632

IUPAC1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
SMILESO=C1CCOc2ccc(NC(=O)NC3CCCCC3)cc2N1
InChIInChI=1S/C16H21N3O3/c20-15-8-9-22-14-7-6-12(10-13(14)19-15)18-16(21)17-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)(H2,17,18,21)
InChIKeyHGWYYRISQQRLKW-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.86
Rot. Bonds2

About 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea

1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea (PubChem CID 110774632) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
PubChem CID110774632
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
SMILESO=C1CCOc2ccc(NC(=O)NC3CCCCC3)cc2N1
InChIInChI=1S/C16H21N3O3/c20-15-8-9-22-14-7-6-12(10-13(14)19-15)18-16(21)17-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)(H2,17,18,21)
InChIKeyHGWYYRISQQRLKW-UHFFFAOYSA-N
XLogP2.86
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 82494236
5-oxo-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyrrolidine-2-carboxamide
CID 110793048
1-cyclopentyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 110774624
1-benzyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 110774636
4-oxo-4-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)amino]butanoic acid
CID 98034722
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
methyl 4-oxo-4-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)amino]butanoate
CID 110778236
4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110793054
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
3-chloro-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110778268
7-[(cyclobutylamino)methyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82498132
1-cyclohexyl-3-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639829

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea (CID 110774632) is 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea is O=C1CCOc2ccc(NC(=O)NC3CCCCC3)cc2N1.
What is the InChIKey of 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea?
The InChIKey is HGWYYRISQQRLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-8-9-22-14-7-6-12(10-13(14)19-15)18-16(21)17-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea?
1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea has a molecular weight of 303.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea is sourced from PubChem (CID 110774632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).