7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine

C20H18FN3O4 — CID 50913784

IUPAC7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
SMILESCC1(COc2ccc(-c3ccc(F)cc3)cc2)CCn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C20H18FN3O4/c1-20(10-11-23-12-18(24(25)26)22-19(23)28-20)13-27-17-8-4-15(5-9-17)14-2-6-16(21)7-3-14/h2-9,12H,10-11,13H2,1H3
InChIKeyIQJFYFAKNUOHAE-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.22
Rot. Bonds5

About 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine

7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine (PubChem CID 50913784) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
PubChem CID50913784
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
SMILESCC1(COc2ccc(-c3ccc(F)cc3)cc2)CCn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C20H18FN3O4/c1-20(10-11-23-12-18(24(25)26)22-19(23)28-20)13-27-17-8-4-15(5-9-17)14-2-6-16(21)7-3-14/h2-9,12H,10-11,13H2,1H3
InChIKeyIQJFYFAKNUOHAE-UHFFFAOYSA-N
XLogP4.22
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

Pretomanid
CID 456199
(6R)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 6320903
2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 21062558
(6S)-2-nitro-6-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44627015
(6S)-6-[[4-[2-chloro-4-(trifluoromethoxy)phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44627113
(6S)-6-[[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44627338
2-methyl-6-nitro-2-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]-3H-imidazo[2,1-b]oxazole
CID 49855247
2-[[4-(4-Fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 50913041
6-Nitro-2-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 50913042
2-methyl-6-nitro-2-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-3H-imidazo[2,1-b]oxazole
CID 50913045
6-Nitro-2-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 50913189
2-[[4-(4-fluorophenyl)phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b]oxazole
CID 50913332

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The IUPAC name of 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine (CID 50913784) is 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine is CC1(COc2ccc(-c3ccc(F)cc3)cc2)CCn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The InChIKey is IQJFYFAKNUOHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-20(10-11-23-12-18(24(25)26)22-19(23)28-20)13-27-17-8-4-15(5-9-17)14-2-6-16(21)7-3-14/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine has a molecular weight of 383.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorophenyl)phenoxy]methyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 50913784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).