1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea

C15H19N3O4 — CID 110630403

IUPAC1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
SMILESCN1C(=O)COc2c(NC(=O)NC3CCOCC3)cccc21
InChIInChI=1S/C15H19N3O4/c1-18-12-4-2-3-11(14(12)22-9-13(18)19)17-15(20)16-10-5-7-21-8-6-10/h2-4,10H,5-9H2,1H3,(H2,16,17,20)
InChIKeyHNEKMAKSXORYHJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.34
Rot. Bonds2

About 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea

1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea (PubChem CID 110630403) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
PubChem CID110630403
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
SMILESCN1C(=O)COc2c(NC(=O)NC3CCOCC3)cccc21
InChIInChI=1S/C15H19N3O4/c1-18-12-4-2-3-11(14(12)22-9-13(18)19)17-15(20)16-10-5-7-21-8-6-10/h2-4,10H,5-9H2,1H3,(H2,16,17,20)
InChIKeyHNEKMAKSXORYHJ-UHFFFAOYSA-N
XLogP1.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide
CID 110630382
N-cyclohexyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701671
N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701727
2-[(4-methyl-3-oxo-1,4-benzoxazin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607716
8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
CID 110630401
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 71940469
1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
CID 72902026
methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
CID 59153391
3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110630325
3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide
CID 110309267
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701760

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea (CID 110630403) is 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea is CN1C(=O)COc2c(NC(=O)NC3CCOCC3)cccc21.
What is the InChIKey of 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea?
The InChIKey is HNEKMAKSXORYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-18-12-4-2-3-11(14(12)22-9-13(18)19)17-15(20)16-10-5-7-21-8-6-10/h2-4,10H,5-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea?
1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea has a molecular weight of 305.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 110630403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).