4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline

C22H32N2O — CID 174849155

IUPAC4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline
SMILESC1=NCCO1.CCCCCc1cc(CCCCC)c2ccccc2n1
InChIInChI=1S/C19H27N.C3H5NO/c1-3-5-7-11-16-15-17(12-8-6-4-2)20-19-14-10-9-13-18(16)19;1-2-5-3-4-1/h9-10,13-15H,3-8,11-12H2,1-2H3;3H,1-2H2
InChIKeyUISGFIQDLNULRN-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.75
Rot. Bonds8

About 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline

4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline (PubChem CID 174849155) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline
PubChem CID174849155
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline
SMILESC1=NCCO1.CCCCCc1cc(CCCCC)c2ccccc2n1
InChIInChI=1S/C19H27N.C3H5NO/c1-3-5-7-11-16-15-17(12-8-6-4-2)20-19-14-10-9-13-18(16)19;1-2-5-3-4-1/h9-10,13-15H,3-8,11-12H2,1-2H3;3H,1-2H2
InChIKeyUISGFIQDLNULRN-UHFFFAOYSA-N
XLogP5.75
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-hexylquinoline
CID 143260250
2-nonylquinolin-4-olate
CID 162840210
2-pentylquinolin-4-amine
CID 14082309
2-hexyl-4-methylquinoline
CID 504074
4-chloro-2-decylquinoline
CID 171487257
4-hexyl-2-methylquinoline
CID 12861362
2-chloro-4-pentadecylquinoline
CID 3679887
methyl 4-pentylquinoline-2-carboxylate
CID 174963802
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
1-octadecylacridine
CID 87175858
1-hexadecylacridine;hydrochloride
CID 172754650

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline?
The IUPAC name of 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline (CID 174849155) is 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline is C1=NCCO1.CCCCCc1cc(CCCCC)c2ccccc2n1.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline?
The InChIKey is UISGFIQDLNULRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N.C3H5NO/c1-3-5-7-11-16-15-17(12-8-6-4-2)20-19-14-10-9-13-18(16)19;1-2-5-3-4-1/h9-10,13-15H,3-8,11-12H2,1-2H3;3H,1-2H2.
What are the key properties of 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline?
4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline has a molecular weight of 340.51 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline is sourced from PubChem (CID 174849155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).