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

C15H15N3O5 — CID 58746333

IUPAC(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2ccc3c(c2)OCC(=O)N3C2CC2)C(=O)O1
InChIInChI=1S/C15H15N3O5/c16-14(20)12-6-17(15(21)23-12)9-3-4-10-11(5-9)22-7-13(19)18(10)8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H2,16,20)/t12-/m1/s1
InChIKeyWKRZNJIAZLMFKN-GFCCVEGCSA-N
MW317.30 g/mol
LogP0.38
Rot. Bonds3

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

(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 58746333) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID58746333
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)[C@H]1CN(c2ccc3c(c2)OCC(=O)N3C2CC2)C(=O)O1
InChIInChI=1S/C15H15N3O5/c16-14(20)12-6-17(15(21)23-12)9-3-4-10-11(5-9)22-7-13(19)18(10)8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H2,16,20)/t12-/m1/s1
InChIKeyWKRZNJIAZLMFKN-GFCCVEGCSA-N
XLogP0.38
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide (CID 58746333) is (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)[C@H]1CN(c2ccc3c(c2)OCC(=O)N3C2CC2)C(=O)O1.
What is the InChIKey of (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is WKRZNJIAZLMFKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N3O5/c16-14(20)12-6-17(15(21)23-12)9-3-4-10-11(5-9)22-7-13(19)18(10)8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H2,16,20)/t12-/m1/s1.
What are the key properties of (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-cyclopropyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 58746333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).