4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole

C19H28N2O2 — CID 11702447

IUPAC4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(OCCCN3CCCCC3)cc2)=N1
InChIInChI=1S/C19H28N2O2/c1-19(2)15-23-18(20-19)16-7-9-17(10-8-16)22-14-6-13-21-11-4-3-5-12-21/h7-10H,3-6,11-15H2,1-2H3
InChIKeyVBUXZJLFLMHLLC-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.50
Rot. Bonds6

About 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole

4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole (PubChem CID 11702447) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole
PubChem CID11702447
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(OCCCN3CCCCC3)cc2)=N1
InChIInChI=1S/C19H28N2O2/c1-19(2)15-23-18(20-19)16-7-9-17(10-8-16)22-14-6-13-21-11-4-3-5-12-21/h7-10H,3-6,11-15H2,1-2H3
InChIKeyVBUXZJLFLMHLLC-UHFFFAOYSA-N
XLogP3.50
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.50
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

1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
CID 11951973
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 11978855
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
CID 11950020
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 91162955
5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole (CID 11702447) is 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole is CC1(C)COC(c2ccc(OCCCN3CCCCC3)cc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole?
The InChIKey is VBUXZJLFLMHLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2)15-23-18(20-19)16-7-9-17(10-8-16)22-14-6-13-21-11-4-3-5-12-21/h7-10H,3-6,11-15H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole has a molecular weight of 316.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 11702447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).