5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole

C18H18N2O2 — CID 11779218

IUPAC5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
SMILESCCCCOc1ccc(-c2cnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-3-12-21-16-6-4-14(5-7-16)17-13-20-18(22-17)15-8-10-19-11-9-15/h4-11,13H,2-3,12H2,1H3
InChIKeyARFORILVURWSGM-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.58
Rot. Bonds6

About 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole

5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole (PubChem CID 11779218) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
PubChem CID11779218
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
SMILESCCCCOc1ccc(-c2cnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-3-12-21-16-6-4-14(5-7-16)17-13-20-18(22-17)15-8-10-19-11-9-15/h4-11,13H,2-3,12H2,1H3
InChIKeyARFORILVURWSGM-UHFFFAOYSA-N
XLogP4.58
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole
CID 58428297
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole
CID 54384331
(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
CID 118469809
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352
4-pentoxypyridine
CID 23560340
2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole
CID 43144208

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole?
The IUPAC name of 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole (CID 11779218) is 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole?
The canonical SMILES for 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole is CCCCOc1ccc(-c2cnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole?
The InChIKey is ARFORILVURWSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-3-12-21-16-6-4-14(5-7-16)17-13-20-18(22-17)15-8-10-19-11-9-15/h4-11,13H,2-3,12H2,1H3.
What are the key properties of 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole?
5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole has a molecular weight of 294.35 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole is sourced from PubChem (CID 11779218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).