1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

C18H23N5O3 — CID 56884395

IUPAC1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCNCC2C(=O)NCc2ccncc2)o1
InChIInChI=1S/C18H23N5O3/c1-3-15-22-12(2)16(26-15)18(25)23-9-8-20-11-14(23)17(24)21-10-13-4-6-19-7-5-13/h4-7,14,20H,3,8-11H2,1-2H3,(H,21,24)
InChIKeyITKZCKHPMLWOQH-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.67
Rot. Bonds5

About 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 56884395) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID56884395
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCNCC2C(=O)NCc2ccncc2)o1
InChIInChI=1S/C18H23N5O3/c1-3-15-22-12(2)16(26-15)18(25)23-9-8-20-11-14(23)17(24)21-10-13-4-6-19-7-5-13/h4-7,14,20H,3,8-11H2,1-2H3,(H,21,24)
InChIKeyITKZCKHPMLWOQH-UHFFFAOYSA-N
XLogP0.67
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 56884395) is 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is CCc1nc(C)c(C(=O)N2CCNCC2C(=O)NCc2ccncc2)o1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is ITKZCKHPMLWOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-15-22-12(2)16(26-15)18(25)23-9-8-20-11-14(23)17(24)21-10-13-4-6-19-7-5-13/h4-7,14,20H,3,8-11H2,1-2H3,(H,21,24).
What are the key properties of 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56884395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).