[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate

C15H19FN2O3 — CID 71722581

IUPAC[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate
SMILESO=C(NCCCCCF)Oc1cccc(C2=NCCO2)c1
InChIInChI=1S/C15H19FN2O3/c16-7-2-1-3-8-18-15(19)21-13-6-4-5-12(11-13)14-17-9-10-20-14/h4-6,11H,1-3,7-10H2,(H,18,19)
InChIKeyPFCJACHHFBAEAO-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.69
Rot. Bonds7

About [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate

[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate (PubChem CID 71722581) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate.

Molecular Properties

Compound Name[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate
PubChem CID71722581
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate
SMILESO=C(NCCCCCF)Oc1cccc(C2=NCCO2)c1
InChIInChI=1S/C15H19FN2O3/c16-7-2-1-3-8-18-15(19)21-13-6-4-5-12(11-13)14-17-9-10-20-14/h4-6,11H,1-3,7-10H2,(H,18,19)
InChIKeyPFCJACHHFBAEAO-UHFFFAOYSA-N
XLogP2.69
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate?
The IUPAC name of [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate (CID 71722581) is [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate.
What is the SMILES notation for [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate?
The canonical SMILES for [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate is O=C(NCCCCCF)Oc1cccc(C2=NCCO2)c1.
What is the InChIKey of [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate?
The InChIKey is PFCJACHHFBAEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-7-2-1-3-8-18-15(19)21-13-6-4-5-12(11-13)14-17-9-10-20-14/h4-6,11H,1-3,7-10H2,(H,18,19).
What are the key properties of [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate?
[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate has a molecular weight of 294.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-(5-fluoropentyl)carbamate is sourced from PubChem (CID 71722581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).