7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine

C20H17F3N4O5 — CID 50914080

IUPAC7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine
SMILESCC1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CCn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C20H17F3N4O5/c1-19(8-9-26-11-17(27(28)29)25-18(26)32-19)12-30-15-6-7-16(24-10-15)13-2-4-14(5-3-13)31-20(21,22)23/h2-7,10-11H,8-9,12H2,1H3
InChIKeyOMUSZRWPEMVKON-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.37
Rot. Bonds6

About 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine

7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine (PubChem CID 50914080) has the molecular formula C20H17F3N4O5 and a molecular weight of 450.37 g/mol. Its IUPAC name is 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine
PubChem CID50914080
Molecular FormulaC20H17F3N4O5
Molecular Weight450.37 g/mol
Exact Mass450.12
IUPAC Name7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine
SMILESCC1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CCn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C20H17F3N4O5/c1-19(8-9-26-11-17(27(28)29)25-18(26)32-19)12-30-15-6-7-16(24-10-15)13-2-4-14(5-3-13)31-20(21,22)23/h2-7,10-11H,8-9,12H2,1H3
InChIKeyOMUSZRWPEMVKON-UHFFFAOYSA-N
XLogP4.37
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The IUPAC name of 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine (CID 50914080) is 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine is CC1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CCn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The InChIKey is OMUSZRWPEMVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O5/c1-19(8-9-26-11-17(27(28)29)25-18(26)32-19)12-30-15-6-7-16(24-10-15)13-2-4-14(5-3-13)31-20(21,22)23/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine has a molecular weight of 450.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-nitro-7-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 50914080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).