2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole

C19H15F3N4O5 — CID 50913333

IUPAC2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C19H15F3N4O5/c1-18(10-25-9-15(26(27)28)24-17(25)31-18)11-29-16-7-4-13(8-23-16)12-2-5-14(6-3-12)30-19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyVGWKSCHHKMKBGM-UHFFFAOYSA-N
MW436.35 g/mol
LogP3.98
Rot. Bonds6

About 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole

2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 50913333) has the molecular formula C19H15F3N4O5 and a molecular weight of 436.35 g/mol. Its IUPAC name is 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID50913333
Molecular FormulaC19H15F3N4O5
Molecular Weight436.35 g/mol
Exact Mass436.10
IUPAC Name2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C19H15F3N4O5/c1-18(10-25-9-15(26(27)28)24-17(25)31-18)11-29-16-7-4-13(8-23-16)12-2-5-14(6-3-12)30-19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyVGWKSCHHKMKBGM-UHFFFAOYSA-N
XLogP3.98
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.98
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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Related Compounds

2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 50913481
2-methyl-6-nitro-2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 127031593
(2R)-2-methyl-6-nitro-2-[[4-[1-[[4-(trifluoromethoxy)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 69480874
2-methyl-6-nitro-2-[[4-[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 67274918
(2R)-2-methyl-6-nitro-2-[[4-[[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]piperidin-1-yl]methyl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 53469646
2-methyl-6-nitro-2-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 10094880
(7R)-7-methyl-2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine
CID 166628268
4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methoxy]benzaldehyde
CID 87531145
N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 69480892
(6S)-2-nitro-6-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 54757189
(2S)-2-methyl-6-nitro-2-[[2-[4-[[4-(trifluoromethoxy)phenyl]methylidene]piperidin-1-yl]quinolin-6-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 67274255
7-methyl-2-nitro-7-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine
CID 50913930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole (CID 50913333) is 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole is CC1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is VGWKSCHHKMKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O5/c1-18(10-25-9-15(26(27)28)24-17(25)31-18)11-29-16-7-4-13(8-23-16)12-2-5-14(6-3-12)30-19(20,21)22/h2-9H,10-11H2,1H3.
What are the key properties of 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 436.35 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 50913333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).