(6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C24H27N3O5 — CID 44626822

IUPAC(6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESCC(C)(C)OCc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1
InChIInChI=1S/C24H27N3O5/c1-24(2,3)32-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-30-21-12-26-13-22(27(28)29)25-23(26)31-16-21/h4-11,13,21H,12,14-16H2,1-3H3/t21-/m0/s1
InChIKeyVBDQRQKTKYAJTA-NRFANRHFSA-N
MW437.50 g/mol
LogP4.75
Rot. Bonds7

About (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

(6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 44626822) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID44626822
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name(6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESCC(C)(C)OCc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1
InChIInChI=1S/C24H27N3O5/c1-24(2,3)32-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-30-21-12-26-13-22(27(28)29)25-23(26)31-16-21/h4-11,13,21H,12,14-16H2,1-3H3/t21-/m0/s1
InChIKeyVBDQRQKTKYAJTA-NRFANRHFSA-N
XLogP4.75
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 44626822) is (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is CC(C)(C)OCc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1.
What is the InChIKey of (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is VBDQRQKTKYAJTA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-24(2,3)32-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-30-21-12-26-13-22(27(28)29)25-23(26)31-16-21/h4-11,13,21H,12,14-16H2,1-3H3/t21-/m0/s1.
What are the key properties of (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
(6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 437.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 44626822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).