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

C20H16F3N3O5 — CID 44627762

IUPAC(6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)(F)F)cc3)c1)C2
InChIInChI=1S/C20H16F3N3O5/c21-20(22,23)31-16-6-4-14(5-7-16)15-3-1-2-13(8-15)11-29-17-9-25-10-18(26(27)28)24-19(25)30-12-17/h1-8,10,17H,9,11-12H2/t17-/m0/s1
InChIKeyOEYWFXWLSMJVOD-KRWDZBQOSA-N
MW435.36 g/mol
LogP4.33
Rot. Bonds6

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

(6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 44627762) has the molecular formula C20H16F3N3O5 and a molecular weight of 435.36 g/mol. Its IUPAC name is (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID44627762
Molecular FormulaC20H16F3N3O5
Molecular Weight435.36 g/mol
Exact Mass435.10
IUPAC Name(6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)(F)F)cc3)c1)C2
InChIInChI=1S/C20H16F3N3O5/c21-20(22,23)31-16-6-4-14(5-7-16)15-3-1-2-13(8-15)11-29-17-9-25-10-18(26(27)28)24-19(25)30-12-17/h1-8,10,17H,9,11-12H2/t17-/m0/s1
InChIKeyOEYWFXWLSMJVOD-KRWDZBQOSA-N
XLogP4.33
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.33
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'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 44627762) is (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)(F)F)cc3)c1)C2.
What is the InChIKey of (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is OEYWFXWLSMJVOD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16F3N3O5/c21-20(22,23)31-16-6-4-14(5-7-16)15-3-1-2-13(8-15)11-29-17-9-25-10-18(26(27)28)24-19(25)30-12-17/h1-8,10,17H,9,11-12H2/t17-/m0/s1.
What are the key properties of (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
(6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 435.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-nitro-6-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 44627762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).