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

C23H25ClN4O2 — CID 3237467

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-16-21(27-23(30-16)19-5-2-6-20(24)12-19)15-28-10-7-18(8-11-28)22(29)26-14-17-4-3-9-25-13-17/h2-6,9,12-13,18H,7-8,10-11,14-15H2,1H3,(H,26,29)
InChIKeyMPUJGUBVVWMHIQ-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.23
Rot. Bonds6

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

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 3237467) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID3237467
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-16-21(27-23(30-16)19-5-2-6-20(24)12-19)15-28-10-7-18(8-11-28)22(29)26-14-17-4-3-9-25-13-17/h2-6,9,12-13,18H,7-8,10-11,14-15H2,1H3,(H,26,29)
InChIKeyMPUJGUBVVWMHIQ-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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 3237467) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MPUJGUBVVWMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16-21(27-23(30-16)19-5-2-6-20(24)12-19)15-28-10-7-18(8-11-28)22(29)26-14-17-4-3-9-25-13-17/h2-6,9,12-13,18H,7-8,10-11,14-15H2,1H3,(H,26,29).
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-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-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3237467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).