(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

C26H25F3N4O5 — CID 69480874

IUPAC(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
SMILESC[C@]1(COc2ccc(C3=CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C26H25F3N4O5/c1-25(16-32-15-23(33(34)35)30-24(32)38-25)17-36-21-8-4-19(5-9-21)20-10-12-31(13-11-20)14-18-2-6-22(7-3-18)37-26(27,28)29/h2-10,15H,11-14,16-17H2,1H3/t25-/m1/s1
InChIKeyKHGQEFIQKSOFKU-RUZDIDTESA-N
MW530.50 g/mol
LogP5.21
Rot. Bonds8

About (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

(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 (PubChem CID 69480874) has the molecular formula C26H25F3N4O5 and a molecular weight of 530.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID69480874
Molecular FormulaC26H25F3N4O5
Molecular Weight530.50 g/mol
Exact Mass530.18
IUPAC Name(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
SMILESC[C@]1(COc2ccc(C3=CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C26H25F3N4O5/c1-25(16-32-15-23(33(34)35)30-24(32)38-25)17-36-21-8-4-19(5-9-21)20-10-12-31(13-11-20)14-18-2-6-22(7-3-18)37-26(27,28)29/h2-10,15H,11-14,16-17H2,1H3/t25-/m1/s1
InChIKeyKHGQEFIQKSOFKU-RUZDIDTESA-N
XLogP5.21
TPSA91.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.50
LogP ≤ 55.21
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@]1(COc2ccc(C3=CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of (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?
The InChIKey is KHGQEFIQKSOFKU-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25F3N4O5/c1-25(16-32-15-23(33(34)35)30-24(32)38-25)17-36-21-8-4-19(5-9-21)20-10-12-31(13-11-20)14-18-2-6-22(7-3-18)37-26(27,28)29/h2-10,15H,11-14,16-17H2,1H3/t25-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 530.50 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 69480874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).