2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide

C15H20N4O2 — CID 53195339

IUPAC2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCC2)nc1C(=O)NCCCn1cccn1
InChIInChI=1S/C15H20N4O2/c1-11-13(18-15(21-11)12-5-2-6-12)14(20)16-7-3-9-19-10-4-8-17-19/h4,8,10,12H,2-3,5-7,9H2,1H3,(H,16,20)
InChIKeyZIEDPHVYXNSDED-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.27
Rot. Bonds6

About 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide

2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 53195339) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID53195339
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCC2)nc1C(=O)NCCCn1cccn1
InChIInChI=1S/C15H20N4O2/c1-11-13(18-15(21-11)12-5-2-6-12)14(20)16-7-3-9-19-10-4-8-17-19/h4,8,10,12H,2-3,5-7,9H2,1H3,(H,16,20)
InChIKeyZIEDPHVYXNSDED-UHFFFAOYSA-N
XLogP2.27
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
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 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 53195339) is 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is Cc1oc(C2CCC2)nc1C(=O)NCCCn1cccn1.
What is the InChIKey of 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZIEDPHVYXNSDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-13(18-15(21-11)12-5-2-6-12)14(20)16-7-3-9-19-10-4-8-17-19/h4,8,10,12H,2-3,5-7,9H2,1H3,(H,16,20).
What are the key properties of 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methyl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).