(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid

C21H20N2O5 — CID 10992528

IUPAC(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid
SMILESC/C(=N\OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
InChIInChI=1S/C21H20N2O5/c1-14(21(24)25)23-27-12-16-8-10-18(11-9-16)26-13-19-15(2)28-20(22-19)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,24,25)/b23-14+
InChIKeyXMRQJZCQAVLERG-OEAKJJBVSA-N
MW380.40 g/mol
LogP4.21
Rot. Bonds8

About (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid

(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid (PubChem CID 10992528) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid
PubChem CID10992528
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid
SMILESC/C(=N\OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
InChIInChI=1S/C21H20N2O5/c1-14(21(24)25)23-27-12-16-8-10-18(11-9-16)26-13-19-15(2)28-20(22-19)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,24,25)/b23-14+
InChIKeyXMRQJZCQAVLERG-OEAKJJBVSA-N
XLogP4.21
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-phenylacetic acid
CID 11059278
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-3-phenylpropanoic acid
CID 86589768
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenylphenyl)acetic acid
CID 10874998
(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]hexanoic acid
CID 11729518
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-(4-phenoxyphenyl)acetic acid
CID 11049759
N-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]hex-4-en-2-imine
CID 59959752
(7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid
CID 11060312
8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid
CID 54356396
(6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate
CID 22344559
ethyl (3E)-2,2-dimethyl-3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-3-phenylpropanoate
CID 86589823
ethyl (8E)-8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoate
CID 11092886
(6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid
CID 86589849

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid?
The IUPAC name of (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid (CID 10992528) is (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid.
What is the SMILES notation for (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid?
The canonical SMILES for (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid is C/C(=N\OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O.
What is the InChIKey of (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid?
The InChIKey is XMRQJZCQAVLERG-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-14(21(24)25)23-27-12-16-8-10-18(11-9-16)26-13-19-15(2)28-20(22-19)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,24,25)/b23-14+.
What are the key properties of (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid?
(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid has a molecular weight of 380.40 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid is sourced from PubChem (CID 10992528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).