7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one

C21H17FN2O4 — CID 9353949

IUPAC7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3nc(-c4ccc(F)cc4)no3)ccc12
InChIInChI=1S/C21H17FN2O4/c1-2-3-14-10-20(25)27-18-11-16(8-9-17(14)18)26-12-19-23-21(24-28-19)13-4-6-15(22)7-5-13/h4-11H,2-3,12H2,1H3
InChIKeyWKFCBWQGEQCUMX-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.51
Rot. Bonds6

About 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one

7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one (PubChem CID 9353949) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
PubChem CID9353949
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3nc(-c4ccc(F)cc4)no3)ccc12
InChIInChI=1S/C21H17FN2O4/c1-2-3-14-10-20(25)27-18-11-16(8-9-17(14)18)26-12-19-23-21(24-28-19)13-4-6-15(22)7-5-13/h4-11H,2-3,12H2,1H3
InChIKeyWKFCBWQGEQCUMX-UHFFFAOYSA-N
XLogP4.51
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one (CID 9353949) is 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3nc(-c4ccc(F)cc4)no3)ccc12.
What is the InChIKey of 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one?
The InChIKey is WKFCBWQGEQCUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c1-2-3-14-10-20(25)27-18-11-16(8-9-17(14)18)26-12-19-23-21(24-28-19)13-4-6-15(22)7-5-13/h4-11H,2-3,12H2,1H3.
What are the key properties of 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one?
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one has a molecular weight of 380.38 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 9353949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).