2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide

C10H16N2O2 — CID 43906526

IUPAC2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide
SMILESCCCC(C)NC(=O)c1coc(C)n1
InChIInChI=1S/C10H16N2O2/c1-4-5-7(2)11-10(13)9-6-14-8(3)12-9/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyTXEIMMQKROBUQL-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide

2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 43906526) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID43906526
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide
SMILESCCCC(C)NC(=O)c1coc(C)n1
InChIInChI=1S/C10H16N2O2/c1-4-5-7(2)11-10(13)9-6-14-8(3)12-9/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyTXEIMMQKROBUQL-UHFFFAOYSA-N
XLogP1.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide (CID 43906526) is 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide is CCCC(C)NC(=O)c1coc(C)n1.
What is the InChIKey of 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is TXEIMMQKROBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-7(2)11-10(13)9-6-14-8(3)12-9/h6-7H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide?
2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 43906526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).