2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole

C29H26N2O3 — CID 58120632

IUPAC2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole
SMILESCCCCOc1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccc(C)cc5)o4)cc3)o2)cc1
InChIInChI=1S/C29H26N2O3/c1-3-4-17-32-25-15-13-22(14-16-25)27-19-31-29(34-27)24-11-9-23(10-12-24)28-30-18-26(33-28)21-7-5-20(2)6-8-21/h5-16,18-19H,3-4,17H2,1-2H3
InChIKeyBCVHQCFRVVRKPB-UHFFFAOYSA-N
MW450.54 g/mol
LogP7.82
Rot. Bonds8

About 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole

2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole (PubChem CID 58120632) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole
PubChem CID58120632
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole
SMILESCCCCOc1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccc(C)cc5)o4)cc3)o2)cc1
InChIInChI=1S/C29H26N2O3/c1-3-4-17-32-25-15-13-22(14-16-25)27-19-31-29(34-27)24-11-9-23(10-12-24)28-30-18-26(33-28)21-7-5-20(2)6-8-21/h5-16,18-19H,3-4,17H2,1-2H3
InChIKeyBCVHQCFRVVRKPB-UHFFFAOYSA-N
XLogP7.82
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 57.82
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

1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
3-(5-(4-Methoxyphenyl)-2-oxazolyl)pyridine
CID 928446
2,5-Bis(4-biphenylyl)oxazole
CID 95231
Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
UA62784
CID 3383533
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383
3-[5-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol
CID 24857878
2-(3-Methoxyphenyl)-5-phenyloxazole
CID 520919

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole (CID 58120632) is 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole is CCCCOc1ccc(-c2cnc(-c3ccc(-c4ncc(-c5ccc(C)cc5)o4)cc3)o2)cc1.
What is the InChIKey of 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole?
The InChIKey is BCVHQCFRVVRKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-3-4-17-32-25-15-13-22(14-16-25)27-19-31-29(34-27)24-11-9-23(10-12-24)28-30-18-26(33-28)21-7-5-20(2)6-8-21/h5-16,18-19H,3-4,17H2,1-2H3.
What are the key properties of 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole?
2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole has a molecular weight of 450.54 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-butoxyphenyl)-1,3-oxazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 58120632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).