N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide

C12H18N4O4 — CID 5280116

IUPACN-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C12H18N4O4/c1-2-3-4-5-11(17)13-9-6-15-7-10(16(18)19)14-12(15)20-8-9/h7,9H,2-6,8H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyWGUYDYLOKKYIFY-VIFPVBQESA-N
MW282.30 g/mol
LogP1.25
Rot. Bonds6

About N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide

N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide (PubChem CID 5280116) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide.

Molecular Properties

Compound NameN-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide
PubChem CID5280116
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC NameN-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C12H18N4O4/c1-2-3-4-5-11(17)13-9-6-15-7-10(16(18)19)14-12(15)20-8-9/h7,9H,2-6,8H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyWGUYDYLOKKYIFY-VIFPVBQESA-N
XLogP1.25
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide?
The IUPAC name of N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide (CID 5280116) is N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide.
What is the SMILES notation for N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide?
The canonical SMILES for N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide is CCCCCC(=O)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1.
What is the InChIKey of N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide?
The InChIKey is WGUYDYLOKKYIFY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O4/c1-2-3-4-5-11(17)13-9-6-15-7-10(16(18)19)14-12(15)20-8-9/h7,9H,2-6,8H2,1H3,(H,13,17)/t9-/m0/s1.
What are the key properties of N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide?
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide has a molecular weight of 282.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide is sourced from PubChem (CID 5280116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).