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

C14H20N4O2 — CID 53195256

IUPAC5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCCCn1cccn1
InChIInChI=1S/C14H20N4O2/c1-10(2)14-17-12(11(3)20-14)13(19)15-6-4-8-18-9-5-7-16-18/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,19)
InChIKeyBRKZMLDVHIYSOX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.12
Rot. Bonds6

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

5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 53195256) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID53195256
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NCCCn1cccn1
InChIInChI=1S/C14H20N4O2/c1-10(2)14-17-12(11(3)20-14)13(19)15-6-4-8-18-9-5-7-16-18/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,19)
InChIKeyBRKZMLDVHIYSOX-UHFFFAOYSA-N
XLogP2.12
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.12
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 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 53195256) is 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)NCCCn1cccn1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BRKZMLDVHIYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)14-17-12(11(3)20-14)13(19)15-6-4-8-18-9-5-7-16-18/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,19).
What are the key properties of 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).