N-pentan-2-yl-1,3-oxazole-5-carboxamide

C9H14N2O2 — CID 133148199

IUPACN-pentan-2-yl-1,3-oxazole-5-carboxamide
SMILESCCCC(C)NC(=O)c1cnco1
InChIInChI=1S/C9H14N2O2/c1-3-4-7(2)11-9(12)8-5-10-6-13-8/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyPPDILSJGAHHASA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.59
Rot. Bonds4

About N-pentan-2-yl-1,3-oxazole-5-carboxamide

N-pentan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 133148199) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-pentan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID133148199
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-pentan-2-yl-1,3-oxazole-5-carboxamide
SMILESCCCC(C)NC(=O)c1cnco1
InChIInChI=1S/C9H14N2O2/c1-3-4-7(2)11-9(12)8-5-10-6-13-8/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyPPDILSJGAHHASA-UHFFFAOYSA-N
XLogP1.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-pentan-2-yl-1,3-oxazole-5-carboxamide (CID 133148199) is N-pentan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-pentan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-pentan-2-yl-1,3-oxazole-5-carboxamide is CCCC(C)NC(=O)c1cnco1.
What is the InChIKey of N-pentan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is PPDILSJGAHHASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-7(2)11-9(12)8-5-10-6-13-8/h5-7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-pentan-2-yl-1,3-oxazole-5-carboxamide?
N-pentan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 133148199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).