4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole

C24H29NO4 — CID 68883684

IUPAC4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCCOCCOCCCc1ccc(OCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C24H29NO4/c1-3-26-16-17-27-15-7-8-20-11-13-22(14-12-20)28-18-23-19(2)29-25-24(23)21-9-5-4-6-10-21/h4-6,9-14H,3,7-8,15-18H2,1-2H3
InChIKeyJOEAZOUYKFUFPF-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.21
Rot. Bonds12

About 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole

4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 68883684) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID68883684
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCCOCCOCCCc1ccc(OCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C24H29NO4/c1-3-26-16-17-27-15-7-8-20-11-13-22(14-12-20)28-18-23-19(2)29-25-24(23)21-9-5-4-6-10-21/h4-6,9-14H,3,7-8,15-18H2,1-2H3
InChIKeyJOEAZOUYKFUFPF-UHFFFAOYSA-N
XLogP5.21
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyanopropyl 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 155552111
4-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
CID 42629653
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
2-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 45380942
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 82371295
methyl (2S)-2-[[(E)-3-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]-3-phenylpropanoate
CID 156757058
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethyl-N-phenylacetamide
CID 43025463
N-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-phenylacetamide
CID 112767890

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole (CID 68883684) is 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole is CCOCCOCCCc1ccc(OCc2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is JOEAZOUYKFUFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-3-26-16-17-27-15-7-8-20-11-13-22(14-12-20)28-18-23-19(2)29-25-24(23)21-9-5-4-6-10-21/h4-6,9-14H,3,7-8,15-18H2,1-2H3.
What are the key properties of 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole?
4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 395.50 g/mol, XLogP of 5.21, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(2-ethoxyethoxy)propyl]phenoxy]methyl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 68883684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).