6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

C14H17N3O4 — CID 66737212

IUPAC6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
SMILESNCCC[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C14H17N3O4/c15-5-1-2-10-7-17(14(19)21-10)9-3-4-12-11(6-9)16-13(18)8-20-12/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,18)/t10-/m1/s1
InChIKeyUFRAYZXQKFHKKS-SNVBAGLBSA-N
MW291.31 g/mol
LogP1.08
Rot. Bonds4

About 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 66737212) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
PubChem CID66737212
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
SMILESNCCC[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C14H17N3O4/c15-5-1-2-10-7-17(14(19)21-10)9-3-4-12-11(6-9)16-13(18)8-20-12/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,18)/t10-/m1/s1
InChIKeyUFRAYZXQKFHKKS-SNVBAGLBSA-N
XLogP1.08
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 66737212) is 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is NCCC[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)C(=O)O1.
What is the InChIKey of 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is UFRAYZXQKFHKKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-5-1-2-10-7-17(14(19)21-10)9-3-4-12-11(6-9)16-13(18)8-20-12/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,18)/t10-/m1/s1.
What are the key properties of 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?
6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 291.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5R)-5-(3-aminopropyl)-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66737212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).