8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid

C32H34N2O5 — CID 54356396

IUPAC8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(CON=C(CCCCCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O5/c1-24-30(33-32(39-24)27-14-8-5-9-15-27)23-37-28-20-18-25(19-21-28)22-38-34-29(26-12-6-4-7-13-26)16-10-2-3-11-17-31(35)36/h4-9,12-15,18-21H,2-3,10-11,16-17,22-23H2,1H3,(H,35,36)
InChIKeyUJJXWXXGGDUKBV-UHFFFAOYSA-N
MW526.63 g/mol
LogP7.58
Rot. Bonds15

About 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid

8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid (PubChem CID 54356396) has the molecular formula C32H34N2O5 and a molecular weight of 526.63 g/mol. Its IUPAC name is 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid.

Molecular Properties

Compound Name8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid
PubChem CID54356396
Molecular FormulaC32H34N2O5
Molecular Weight526.63 g/mol
Exact Mass526.25
IUPAC Name8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(CON=C(CCCCCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O5/c1-24-30(33-32(39-24)27-14-8-5-9-15-27)23-37-28-20-18-25(19-21-28)22-38-34-29(26-12-6-4-7-13-26)16-10-2-3-11-17-31(35)36/h4-9,12-15,18-21H,2-3,10-11,16-17,22-23H2,1H3,(H,35,36)
InChIKeyUJJXWXXGGDUKBV-UHFFFAOYSA-N
XLogP7.58
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid
CID 11060312
(6E)-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoate
CID 22344559
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
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-phenylacetic acid
CID 11059278
(E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine
CID 18379788
(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid
CID 10992528
(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-phenylphenyl)acetic acid
CID 10874998
(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-phenoxyphenyl)acetic acid
CID 11049759
ethyl (3E)-2,2-dimethyl-3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-3-phenylpropanoate
CID 86589823

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid?
The IUPAC name of 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid (CID 54356396) is 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid.
What is the SMILES notation for 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid?
The canonical SMILES for 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(CON=C(CCCCCCC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid?
The InChIKey is UJJXWXXGGDUKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O5/c1-24-30(33-32(39-24)27-14-8-5-9-15-27)23-37-28-20-18-25(19-21-28)22-38-34-29(26-12-6-4-7-13-26)16-10-2-3-11-17-31(35)36/h4-9,12-15,18-21H,2-3,10-11,16-17,22-23H2,1H3,(H,35,36).
What are the key properties of 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid?
8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid has a molecular weight of 526.63 g/mol, XLogP of 7.58, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid is sourced from PubChem (CID 54356396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).