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

C19H13FN2O4 — CID 9137817

IUPAC7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3nc(-c4ccc(F)cc4)no3)ccc12
InChIInChI=1S/C19H13FN2O4/c1-11-8-18(23)25-16-9-14(6-7-15(11)16)24-10-17-21-19(22-26-17)12-2-4-13(20)5-3-12/h2-9H,10H2,1H3
InChIKeyPUDVPWXOHDNZLV-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.87
Rot. Bonds4

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

7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one (PubChem CID 9137817) has the molecular formula C19H13FN2O4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
PubChem CID9137817
Molecular FormulaC19H13FN2O4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3nc(-c4ccc(F)cc4)no3)ccc12
InChIInChI=1S/C19H13FN2O4/c1-11-8-18(23)25-16-9-14(6-7-15(11)16)24-10-17-21-19(22-26-17)12-2-4-13(20)5-3-12/h2-9H,10H2,1H3
InChIKeyPUDVPWXOHDNZLV-UHFFFAOYSA-N
XLogP3.87
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-propylchromen-2-one
CID 9353949
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137818
4-methyl-7-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy]chromen-2-one
CID 46685912
7-[[3-[2-fluoro-4-[3-(hydroxymethyl)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 166375581
7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
CID 18083177
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
CID 164886608
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one
CID 47025690
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755
4-methyl-7-phenylmethoxychromen-2-one
CID 728520

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one (CID 9137817) is 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one is Cc1cc(=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-methylchromen-2-one?
The InChIKey is PUDVPWXOHDNZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4/c1-11-8-18(23)25-16-9-14(6-7-15(11)16)24-10-17-21-19(22-26-17)12-2-4-13(20)5-3-12/h2-9H,10H2,1H3.
What are the key properties of 7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one has a molecular weight of 352.32 g/mol, XLogP of 3.87, 4 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-methylchromen-2-one is sourced from PubChem (CID 9137817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).