5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione

C18H14ClFN2O4 — CID 177336492

IUPAC5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2c(F)c(Cl)cc3c2N(Cc2ccccc2)CCO3)O1
InChIInChI=1S/C18H14ClFN2O4/c19-11-8-12-15(13(14(11)20)16-17(23)21-18(24)26-16)22(6-7-25-12)9-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,21,23,24)
InChIKeyXRWVBWODLBNLMC-UHFFFAOYSA-N
MW376.77 g/mol
LogP3.19
Rot. Bonds3

About 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione

5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 177336492) has the molecular formula C18H14ClFN2O4 and a molecular weight of 376.77 g/mol. Its IUPAC name is 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione
PubChem CID177336492
Molecular FormulaC18H14ClFN2O4
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC Name5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2c(F)c(Cl)cc3c2N(Cc2ccccc2)CCO3)O1
InChIInChI=1S/C18H14ClFN2O4/c19-11-8-12-15(13(14(11)20)16-17(23)21-18(24)26-16)22(6-7-25-12)9-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,21,23,24)
InChIKeyXRWVBWODLBNLMC-UHFFFAOYSA-N
XLogP3.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
CID 177336609
5-(6-chloro-7-fluoro-3,4-dihydro-2H-thiochromen-8-yl)-1,3-oxazolidine-2,4-dione
CID 177336765
1-benzyl-5-chloro-1,3-diazinane-2,4-dione
CID 78209180
4-[(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345565
4-benzyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 82379365
4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one
CID 102495292
7-chloro-6-fluoro-4-[(3-fluoro-4-methoxyphenyl)methyl]-5-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzoxazine
CID 177336829
7-chloro-6-fluoro-4-(1,2-oxazol-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-5-carbonitrile
CID 177336430
2-chloro-5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)aniline
CID 117221511
8-chloro-6-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 167249410
4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345504
1-benzyl-6-chloro-5-fluoro-2,3-dihydroindole-4-carboxylic acid
CID 171787789

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione (CID 177336492) is 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(c2c(F)c(Cl)cc3c2N(Cc2ccccc2)CCO3)O1.
What is the InChIKey of 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is XRWVBWODLBNLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4/c19-11-8-12-15(13(14(11)20)16-17(23)21-18(24)26-16)22(6-7-25-12)9-10-4-2-1-3-5-10/h1-5,8,16H,6-7,9H2,(H,21,23,24).
What are the key properties of 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione?
5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 376.77 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzyl-7-chloro-6-fluoro-2,3-dihydro-1,4-benzoxazin-5-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 177336492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).