2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole

C20H38FNO — CID 91705204

IUPAC2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CCCCCCCCCCCCCCCF)=N1
InChIInChI=1S/C20H38FNO/c1-20(2)18-23-19(22-20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21/h3-18H2,1-2H3
InChIKeyLTUMFFUMRFWUCM-UHFFFAOYSA-N
MW327.53 g/mol
LogP6.62
Rot. Bonds15

About 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole

2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 91705204) has the molecular formula C20H38FNO and a molecular weight of 327.53 g/mol. Its IUPAC name is 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID91705204
Molecular FormulaC20H38FNO
Molecular Weight327.53 g/mol
Exact Mass327.29
IUPAC Name2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CCCCCCCCCCCCCCCF)=N1
InChIInChI=1S/C20H38FNO/c1-20(2)18-23-19(22-20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21/h3-18H2,1-2H3
InChIKeyLTUMFFUMRFWUCM-UHFFFAOYSA-N
XLogP6.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.53
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
2-[(9E,11E)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370410
2-[(9E,11Z)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 91712819
2-[(12Z,15Z)-heptadeca-12,15-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 91712816
4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
2-(12-cyclopent-2-en-1-yldodecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705170
5-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-6-oxa-4-azaspiro[2.4]hept-4-ene
CID 163449515
4,4-dimethyl-2-[(4E,10E,13E)-nonadeca-4,10,13-trienyl]-5H-1,3-oxazole
CID 6422236
2-dodecyl-4-methyl-4-(trifluoromethyl)-5H-1,3-oxazole
CID 67928410
4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
CID 143317146
2-(methoxymethyl)-4,4-dimethyl-5H-1,3-oxazole
CID 3041075
O-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 142932736

Frequently Asked Questions

What is the IUPAC name of 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole (CID 91705204) is 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(CCCCCCCCCCCCCCCF)=N1.
What is the InChIKey of 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is LTUMFFUMRFWUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FNO/c1-20(2)18-23-19(22-20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21/h3-18H2,1-2H3.
What are the key properties of 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 327.53 g/mol, XLogP of 6.62, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-fluoropentadecyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 91705204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).