1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C23H25FN4O2 — CID 3244047

IUPAC1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-16-21(27-23(30-16)19-6-2-3-7-20(19)24)15-28-11-8-18(9-12-28)22(29)26-14-17-5-4-10-25-13-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,26,29)
InChIKeySGLRUHMHWIDZSL-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.71
Rot. Bonds6

About 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 3244047) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID3244047
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C23H25FN4O2/c1-16-21(27-23(30-16)19-6-2-3-7-20(19)24)15-28-11-8-18(9-12-28)22(29)26-14-17-5-4-10-25-13-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,26,29)
InChIKeySGLRUHMHWIDZSL-UHFFFAOYSA-N
XLogP3.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 3244047) is 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SGLRUHMHWIDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-21(27-23(30-16)19-6-2-3-7-20(19)24)15-28-11-8-18(9-12-28)22(29)26-14-17-5-4-10-25-13-17/h2-7,10,13,18H,8-9,11-12,14-15H2,1H3,(H,26,29).
What are the key properties of 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3244047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).