N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide

C10H17N3O3 — CID 79523920

IUPACN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide
SMILESO=C(N[C@@H]1CONC1=O)C1CCCCCN1
InChIInChI=1S/C10H17N3O3/c14-9(7-4-2-1-3-5-11-7)12-8-6-16-13-10(8)15/h7-8,11H,1-6H2,(H,12,14)(H,13,15)/t7?,8-/m1/s1
InChIKeyZFWGNOGQBGZHOB-BRFYHDHCSA-N
MW227.26 g/mol
LogP-0.94
Rot. Bonds2

About N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide

N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide (PubChem CID 79523920) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide
PubChem CID79523920
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide
SMILESO=C(N[C@@H]1CONC1=O)C1CCCCCN1
InChIInChI=1S/C10H17N3O3/c14-9(7-4-2-1-3-5-11-7)12-8-6-16-13-10(8)15/h7-8,11H,1-6H2,(H,12,14)(H,13,15)/t7?,8-/m1/s1
InChIKeyZFWGNOGQBGZHOB-BRFYHDHCSA-N
XLogP-0.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide?
The IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide (CID 79523920) is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide.
What is the SMILES notation for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide?
The canonical SMILES for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide is O=C(N[C@@H]1CONC1=O)C1CCCCCN1.
What is the InChIKey of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide?
The InChIKey is ZFWGNOGQBGZHOB-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9(7-4-2-1-3-5-11-7)12-8-6-16-13-10(8)15/h7-8,11H,1-6H2,(H,12,14)(H,13,15)/t7?,8-/m1/s1.
What are the key properties of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide?
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]azepane-2-carboxamide is sourced from PubChem (CID 79523920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).