5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole

C17H22N2O2 — CID 56678519

IUPAC5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole
SMILESc1ncc(-c2ccc(OCCCN3CCCCC3)cc2)o1
InChIInChI=1S/C17H22N2O2/c1-2-9-19(10-3-1)11-4-12-20-16-7-5-15(6-8-16)17-13-18-14-21-17/h5-8,13-14H,1-4,9-12H2
InChIKeyBRGURMHCXCHXFJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.60
Rot. Bonds6

About 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole

5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole (PubChem CID 56678519) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole
PubChem CID56678519
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole
SMILESc1ncc(-c2ccc(OCCCN3CCCCC3)cc2)o1
InChIInChI=1S/C17H22N2O2/c1-2-9-19(10-3-1)11-4-12-20-16-7-5-15(6-8-16)17-13-18-14-21-17/h5-8,13-14H,1-4,9-12H2
InChIKeyBRGURMHCXCHXFJ-UHFFFAOYSA-N
XLogP3.60
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.60
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

3-(5-(4-Methoxyphenyl)-2-oxazolyl)pyridine
CID 928446
Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
2-Methoxy-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 122187175
5-(4-Methoxyphenyl)-1,3-oxazole
CID 3270828
5-Phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
CID 52946272
N-hydroxy-7-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]heptanamide
CID 10426019
(R)-2-(2-(4-(oxazol-5-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9858464
5-(4-Butoxy-phenyl)-oxazole
CID 11148656
1-(5-(Furan-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 11278743
1-(5-(4-Hydroxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110646
1-(5-(4-Methoxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110705
8-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methyl-2-oxooctanamide
CID 44349697

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole?
The IUPAC name of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole (CID 56678519) is 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole?
The canonical SMILES for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole is c1ncc(-c2ccc(OCCCN3CCCCC3)cc2)o1.
What is the InChIKey of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole?
The InChIKey is BRGURMHCXCHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-9-19(10-3-1)11-4-12-20-16-7-5-15(6-8-16)17-13-18-14-21-17/h5-8,13-14H,1-4,9-12H2.
What are the key properties of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole?
5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole has a molecular weight of 286.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 56678519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).