(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

C17H20N4O5 — CID 6483574

IUPAC(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESC[C@]1(COc2ccc(N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C17H20N4O5/c1-17(11-20-10-15(21(22)23)18-16(20)26-17)12-25-14-4-2-13(3-5-14)19-6-8-24-9-7-19/h2-5,10H,6-9,11-12H2,1H3/t17-/m1/s1
InChIKeyDZQQLJLOVPBPAW-QGZVFWFLSA-N
MW360.37 g/mol
LogP1.86
Rot. Bonds5

About (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 6483574) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID6483574
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESC[C@]1(COc2ccc(N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C17H20N4O5/c1-17(11-20-10-15(21(22)23)18-16(20)26-17)12-25-14-4-2-13(3-5-14)19-6-8-24-9-7-19/h2-5,10H,6-9,11-12H2,1H3/t17-/m1/s1
InChIKeyDZQQLJLOVPBPAW-QGZVFWFLSA-N
XLogP1.86
TPSA91.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]-1,4-thiazinane 1-oxide
CID 6483576
(2R)-2-[[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 127041722
N-(4-chlorophenyl)-N-methyl-1-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperidin-4-amine
CID 67274245
2-[[4-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 66887503
4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methoxy]benzaldehyde
CID 87531145
(2R)-2-methyl-6-nitro-2-[[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 10006788
2-methyl-6-nitro-2-[[4-[4-[[(2R)-oxan-2-yl]oxymethyl]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 67274591
(2S)-2-methyl-6-nitro-2-[[4-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 11365299
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
(3,4-dichlorophenyl)methyl 4-[4-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperazine-1-carboxylate
CID 10008004
(2R)-2-[[4-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 5278875
tributyl-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]stannane
CID 54771050

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (CID 6483574) is (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is C[C@]1(COc2ccc(N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is DZQQLJLOVPBPAW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-17(11-20-10-15(21(22)23)18-16(20)26-17)12-25-14-4-2-13(3-5-14)19-6-8-24-9-7-19/h2-5,10H,6-9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
(2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 360.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[(4-morpholin-4-ylphenoxy)methyl]-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 6483574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).