6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate

C26H31NO4 — CID 10112932

IUPAC6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate
SMILESCCCC(=O)OCCCCCCOCc1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C26H31NO4/c1-2-13-24(28)30-19-12-4-3-11-18-29-20-23-25(21-14-7-5-8-15-21)31-26(27-23)22-16-9-6-10-17-22/h5-10,14-17H,2-4,11-13,18-20H2,1H3
InChIKeyPBYKURUFTCMTJT-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.43
Rot. Bonds13

About 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate

6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate (PubChem CID 10112932) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate.

Molecular Properties

Compound Name6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate
PubChem CID10112932
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate
SMILESCCCC(=O)OCCCCCCOCc1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C26H31NO4/c1-2-13-24(28)30-19-12-4-3-11-18-29-20-23-25(21-14-7-5-8-15-21)31-26(27-23)22-16-9-6-10-17-22/h5-10,14-17H,2-4,11-13,18-20H2,1H3
InChIKeyPBYKURUFTCMTJT-UHFFFAOYSA-N
XLogP6.43
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate with MolForge

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Related Compounds

4-phenylbutyl butanoate
CID 59678642
(4-methyl-2-phenyl-1,3-oxazol-5-yl) butanoate
CID 90736452
hexyl 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 19205113
4-O-benzyl 1-O-octyl butanedioate
CID 528266
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole
CID 22261206
nonanoic acid;3-phenylmethoxypropyl octanoate
CID 168884740
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 84601948
pentyl 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 2053876
octyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71458299
pentadecyl butanoate
CID 560582
4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
CID 30593411

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate?
The IUPAC name of 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate (CID 10112932) is 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate.
What is the SMILES notation for 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate?
The canonical SMILES for 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate is CCCC(=O)OCCCCCCOCc1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate?
The InChIKey is PBYKURUFTCMTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c1-2-13-24(28)30-19-12-4-3-11-18-29-20-23-25(21-14-7-5-8-15-21)31-26(27-23)22-16-9-6-10-17-22/h5-10,14-17H,2-4,11-13,18-20H2,1H3.
What are the key properties of 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate?
6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate has a molecular weight of 421.54 g/mol, XLogP of 6.43, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate is sourced from PubChem (CID 10112932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).