2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide

C11H16N2O3 — CID 95132413

IUPAC2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2CCOC2)o1
InChIInChI=1S/C11H16N2O3/c1-3-9-12-7(2)10(16-9)11(14)13-8-4-5-15-6-8/h8H,3-6H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyLEAUXYVWWWBVNC-QMMMGPOBSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds3

About 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 95132413) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID95132413
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2CCOC2)o1
InChIInChI=1S/C11H16N2O3/c1-3-9-12-7(2)10(16-9)11(14)13-8-4-5-15-6-8/h8H,3-6H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyLEAUXYVWWWBVNC-QMMMGPOBSA-N
XLogP1.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide (CID 95132413) is 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@H]2CCOC2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is LEAUXYVWWWBVNC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-9-12-7(2)10(16-9)11(14)13-8-4-5-15-6-8/h8H,3-6H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 95132413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).