3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide

C15H26N4O2 — CID 75462472

IUPAC3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-11(2)14-13(12(3)18-21-14)15(20)17-5-4-8-19-9-6-16-7-10-19/h11,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyLLNSKEDPISCMCP-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.13
Rot. Bonds6

About 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 75462472) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID75462472
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H26N4O2/c1-11(2)14-13(12(3)18-21-14)15(20)17-5-4-8-19-9-6-16-7-10-19/h11,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyLLNSKEDPISCMCP-UHFFFAOYSA-N
XLogP1.13
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 75462472) is 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCCCN1CCNCC1.
What is the InChIKey of 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is LLNSKEDPISCMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)14-13(12(3)18-21-14)15(20)17-5-4-8-19-9-6-16-7-10-19/h11,16H,4-10H2,1-3H3,(H,17,20).
What are the key properties of 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperazin-1-ylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75462472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).