N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide

C26H22FN3O3 — CID 90040389

IUPACN-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide
SMILESCc1noc(C)c1-c1ccc(C2(NC(=O)c3ccc(F)cc3)CCOc3cccnc32)cc1
InChIInChI=1S/C26H22FN3O3/c1-16-23(17(2)33-30-16)18-5-9-20(10-6-18)26(13-15-32-22-4-3-14-28-24(22)26)29-25(31)19-7-11-21(27)12-8-19/h3-12,14H,13,15H2,1-2H3,(H,29,31)
InChIKeyZLEQFILCLIKYAO-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.95
Rot. Bonds4

About N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide

N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide (PubChem CID 90040389) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide
PubChem CID90040389
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC NameN-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide
SMILESCc1noc(C)c1-c1ccc(C2(NC(=O)c3ccc(F)cc3)CCOc3cccnc32)cc1
InChIInChI=1S/C26H22FN3O3/c1-16-23(17(2)33-30-16)18-5-9-20(10-6-18)26(13-15-32-22-4-3-14-28-24(22)26)29-25(31)19-7-11-21(27)12-8-19/h3-12,14H,13,15H2,1-2H3,(H,29,31)
InChIKeyZLEQFILCLIKYAO-UHFFFAOYSA-N
XLogP4.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide (CID 90040389) is N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide is Cc1noc(C)c1-c1ccc(C2(NC(=O)c3ccc(F)cc3)CCOc3cccnc32)cc1.
What is the InChIKey of N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide?
The InChIKey is ZLEQFILCLIKYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-16-23(17(2)33-30-16)18-5-9-20(10-6-18)26(13-15-32-22-4-3-14-28-24(22)26)29-25(31)19-7-11-21(27)12-8-19/h3-12,14H,13,15H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide?
N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide has a molecular weight of 443.48 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 90040389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).