4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C22H15FN4O3 — CID 168586565

IUPAC4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3noc(COc4ccc(F)cc4)n3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C22H15FN4O3/c1-13-10-18(19(11-24)22(28)25-13)14-2-4-15(5-3-14)21-26-20(30-27-21)12-29-17-8-6-16(23)7-9-17/h2-10H,12H2,1H3,(H,25,28)
InChIKeyDKTPHHHRTBFADM-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.99
Rot. Bonds5

About 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586565) has the molecular formula C22H15FN4O3 and a molecular weight of 402.39 g/mol. Its IUPAC name is 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586565
Molecular FormulaC22H15FN4O3
Molecular Weight402.39 g/mol
Exact Mass402.11
IUPAC Name4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(-c3noc(COc4ccc(F)cc4)n3)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C22H15FN4O3/c1-13-10-18(19(11-24)22(28)25-13)14-2-4-15(5-3-14)21-26-20(30-27-21)12-29-17-8-6-16(23)7-9-17/h2-10H,12H2,1H3,(H,25,28)
InChIKeyDKTPHHHRTBFADM-UHFFFAOYSA-N
XLogP3.99
TPSA104.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

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Related Compounds

5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
6-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587033
6-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585756
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
6-methyl-4-[4-(3-methylbutoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585141
methyl 4-[2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]ethoxy]benzoate
CID 168585645
7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137817
4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584720
4-[3-[(2-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586741
7-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53065522
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 78952632

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586565) is 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(-c3noc(COc4ccc(F)cc4)n3)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DKTPHHHRTBFADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3/c1-13-10-18(19(11-24)22(28)25-13)14-2-4-15(5-3-14)21-26-20(30-27-21)12-29-17-8-6-16(23)7-9-17/h2-10H,12H2,1H3,(H,25,28).
What are the key properties of 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 402.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).