N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C12H19N3O3 — CID 79524355

IUPACN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1CONC1=O)C1CC2CCCCC2N1
InChIInChI=1S/C12H19N3O3/c16-11(14-10-6-18-15-12(10)17)9-5-7-3-1-2-4-8(7)13-9/h7-10,13H,1-6H2,(H,14,16)(H,15,17)/t7?,8?,9?,10-/m1/s1
InChIKeyBOHOXBKUGHXHID-SYZWKDNESA-N
MW253.30 g/mol
LogP-0.55
Rot. Bonds2

About N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 79524355) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID79524355
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1CONC1=O)C1CC2CCCCC2N1
InChIInChI=1S/C12H19N3O3/c16-11(14-10-6-18-15-12(10)17)9-5-7-3-1-2-4-8(7)13-9/h7-10,13H,1-6H2,(H,14,16)(H,15,17)/t7?,8?,9?,10-/m1/s1
InChIKeyBOHOXBKUGHXHID-SYZWKDNESA-N
XLogP-0.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.55
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]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 79524355) is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(N[C@@H]1CONC1=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is BOHOXBKUGHXHID-SYZWKDNESA-N. The full InChI is InChI=1S/C12H19N3O3/c16-11(14-10-6-18-15-12(10)17)9-5-7-3-1-2-4-8(7)13-9/h7-10,13H,1-6H2,(H,14,16)(H,15,17)/t7?,8?,9?,10-/m1/s1.
What are the key properties of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.55, 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]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 79524355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).