(6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid

C32H34N2O5 — CID 86589849

IUPAC(6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(/CCCC(C)(C)C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O5/c1-23-29(33-30(39-23)26-13-8-5-9-14-26)22-37-27-18-16-24(17-19-27)21-38-34-28(25-11-6-4-7-12-25)15-10-20-32(2,3)31(35)36/h4-9,11-14,16-19H,10,15,20-22H2,1-3H3,(H,35,36)/b34-28-
InChIKeyUWFCIGIEADEWGS-BFYITVNDSA-N
MW526.63 g/mol
LogP7.43
Rot. Bonds13

About (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid

(6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid (PubChem CID 86589849) has the molecular formula C32H34N2O5 and a molecular weight of 526.63 g/mol. Its IUPAC name is (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid.

Molecular Properties

Compound Name(6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid
PubChem CID86589849
Molecular FormulaC32H34N2O5
Molecular Weight526.63 g/mol
Exact Mass526.25
IUPAC Name(6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(/CCCC(C)(C)C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C32H34N2O5/c1-23-29(33-30(39-23)26-13-8-5-9-14-26)22-37-27-18-16-24(17-19-27)21-38-34-28(25-11-6-4-7-12-25)15-10-20-32(2,3)31(35)36/h4-9,11-14,16-19H,10,15,20-22H2,1-3H3,(H,35,36)/b34-28-
InChIKeyUWFCIGIEADEWGS-BFYITVNDSA-N
XLogP7.43
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 57.43
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'}

Analyze (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic 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
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 (8E)-8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoate
CID 11092886
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-phenylacetic acid
CID 11059278
(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid
CID 10992528
ethyl (3E)-2,2-dimethyl-3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-3-phenylpropanoate
CID 86589823
(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
(E)-N-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenyldecan-1-imine
CID 18379788

Frequently Asked Questions

What is the IUPAC name of (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid?
The IUPAC name of (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid (CID 86589849) is (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid.
What is the SMILES notation for (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid?
The canonical SMILES for (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(/CCCC(C)(C)C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid?
The InChIKey is UWFCIGIEADEWGS-BFYITVNDSA-N. The full InChI is InChI=1S/C32H34N2O5/c1-23-29(33-30(39-23)26-13-8-5-9-14-26)22-37-27-18-16-24(17-19-27)21-38-34-28(25-11-6-4-7-12-25)15-10-20-32(2,3)31(35)36/h4-9,11-14,16-19H,10,15,20-22H2,1-3H3,(H,35,36)/b34-28-.
What are the key properties of (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid?
(6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid has a molecular weight of 526.63 g/mol, XLogP of 7.43, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,2-dimethyl-6-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-6-phenylhexanoic acid is sourced from PubChem (CID 86589849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).