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

C23H25ClN4O2 — CID 3245365

IUPAC1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C23H25ClN4O2/c1-16-21(27-23(30-16)17-7-9-19(24)10-8-17)15-28-12-4-5-18(14-28)22(29)26-13-20-6-2-3-11-25-20/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,26,29)
InChIKeyMFIFLRKZIUTNER-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.23
Rot. Bonds6

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

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 3245365) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID3245365
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C23H25ClN4O2/c1-16-21(27-23(30-16)17-7-9-19(24)10-8-17)15-28-12-4-5-18(14-28)22(29)26-13-20-6-2-3-11-25-20/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,26,29)
InChIKeyMFIFLRKZIUTNER-UHFFFAOYSA-N
XLogP4.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)heptane
CID 16736447
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-chlorophenyl)hept-6-yne
CID 16736428
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-chlorophenyl)hept-6-yne
CID 16736615
7-(2-Chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16737009
7-(4-Chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16737010
Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)hept-6-yne
CID 16737627
(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74221950
(3-chlorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74222037
(3-chloro-5-methylphenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 137637236
[2-(5-chloro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
CID 137639643
(3,4-Dichlorophenyl)-[4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10411236
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10695395

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 3245365) is 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccccn2)C1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MFIFLRKZIUTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16-21(27-23(30-16)17-7-9-19(24)10-8-17)15-28-12-4-5-18(14-28)22(29)26-13-20-6-2-3-11-25-20/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,26,29).
What are the key properties of 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3245365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).