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

C18H23N5O3 — CID 56884221

IUPAC1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCNCC2C(=O)NCc2ccncc2)on1
InChIInChI=1S/C18H23N5O3/c1-12(2)14-9-16(26-22-14)18(25)23-8-7-20-11-15(23)17(24)21-10-13-3-5-19-6-4-13/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3,(H,21,24)
InChIKeyMBRVBFWGYMHXNS-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.92
Rot. Bonds5

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

1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 56884221) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID56884221
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCNCC2C(=O)NCc2ccncc2)on1
InChIInChI=1S/C18H23N5O3/c1-12(2)14-9-16(26-22-14)18(25)23-8-7-20-11-15(23)17(24)21-10-13-3-5-19-6-4-13/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3,(H,21,24)
InChIKeyMBRVBFWGYMHXNS-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 56884221) is 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is CC(C)c1cc(C(=O)N2CCNCC2C(=O)NCc2ccncc2)on1.
What is the InChIKey of 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is MBRVBFWGYMHXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12(2)14-9-16(26-22-14)18(25)23-8-7-20-11-15(23)17(24)21-10-13-3-5-19-6-4-13/h3-6,9,12,15,20H,7-8,10-11H2,1-2H3,(H,21,24).
What are the key properties of 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56884221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).