3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide

C24H28FN3O5 — CID 123204399

IUPAC3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccc(F)c2)cc(C2=NOC(C3COC(CO)CO3)C2)nc1C
InChIInChI=1S/C24H28FN3O5/c1-3-18-14(2)27-20(8-19(18)24(30)26-10-15-5-4-6-16(25)7-15)21-9-22(33-28-21)23-13-31-17(11-29)12-32-23/h4-8,17,22-23,29H,3,9-13H2,1-2H3,(H,26,30)
InChIKeyOGXNSDYRQDKDIA-UHFFFAOYSA-N
MW457.50 g/mol
LogP2.29
Rot. Bonds7

About 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide

3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide (PubChem CID 123204399) has the molecular formula C24H28FN3O5 and a molecular weight of 457.50 g/mol. Its IUPAC name is 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide
PubChem CID123204399
Molecular FormulaC24H28FN3O5
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC Name3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccc(F)c2)cc(C2=NOC(C3COC(CO)CO3)C2)nc1C
InChIInChI=1S/C24H28FN3O5/c1-3-18-14(2)27-20(8-19(18)24(30)26-10-15-5-4-6-16(25)7-15)21-9-22(33-28-21)23-13-31-17(11-29)12-32-23/h4-8,17,22-23,29H,3,9-13H2,1-2H3,(H,26,30)
InChIKeyOGXNSDYRQDKDIA-UHFFFAOYSA-N
XLogP2.29
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide (CID 123204399) is 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide is CCc1c(C(=O)NCc2cccc(F)c2)cc(C2=NOC(C3COC(CO)CO3)C2)nc1C.
What is the InChIKey of 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is OGXNSDYRQDKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O5/c1-3-18-14(2)27-20(8-19(18)24(30)26-10-15-5-4-6-16(25)7-15)21-9-22(33-28-21)23-13-31-17(11-29)12-32-23/h4-8,17,22-23,29H,3,9-13H2,1-2H3,(H,26,30).
What are the key properties of 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide?
3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-fluorophenyl)methyl]-6-[5-[5-(hydroxymethyl)-1,4-dioxan-2-yl]-4,5-dihydro-1,2-oxazol-3-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 123204399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).