(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

C16H19N3O5 — CID 58746383

IUPAC(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCC(C)(C)N1C(=O)COc2cc(N3C[C@H](C(N)=O)OC3=O)ccc21
InChIInChI=1S/C16H19N3O5/c1-16(2,3)19-10-5-4-9(6-11(10)23-8-13(19)20)18-7-12(14(17)21)24-15(18)22/h4-6,12H,7-8H2,1-3H3,(H2,17,21)/t12-/m1/s1
InChIKeyJTUCIFUOPSPUBS-GFCCVEGCSA-N
MW333.34 g/mol
LogP1.02
Rot. Bonds2

About (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 58746383) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID58746383
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCC(C)(C)N1C(=O)COc2cc(N3C[C@H](C(N)=O)OC3=O)ccc21
InChIInChI=1S/C16H19N3O5/c1-16(2,3)19-10-5-4-9(6-11(10)23-8-13(19)20)18-7-12(14(17)21)24-15(18)22/h4-6,12H,7-8H2,1-3H3,(H2,17,21)/t12-/m1/s1
InChIKeyJTUCIFUOPSPUBS-GFCCVEGCSA-N
XLogP1.02
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10149461
(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746333
azane;(5R)-3-(1-cyclobutyl-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 160735007
(5R)-3-[1-(1-aminopropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 138624683
N-[[(5S)-3-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57030886
(5R)-3-(3-ethyl-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazol-8-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58746282
3-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69022376
carbamoyl 3-[1-(2-methylpropyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidine-5-carboxylate
CID 91557908
(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10308812
N-methyl-3-(1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 74082458
(5R)-3-[4-[(1R,5S)-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58978127
(5R)-3-(7-fluoro-1-methyl-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 11536643

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (CID 58746383) is (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is CC(C)(C)N1C(=O)COc2cc(N3C[C@H](C(N)=O)OC3=O)ccc21.
What is the InChIKey of (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is JTUCIFUOPSPUBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-16(2,3)19-10-5-4-9(6-11(10)23-8-13(19)20)18-7-12(14(17)21)24-15(18)22/h4-6,12H,7-8H2,1-3H3,(H2,17,21)/t12-/m1/s1.
What are the key properties of (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-tert-butyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 58746383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).