(2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide

C11H18N2O3 — CID 124506495

IUPAC(2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1cc(CC)no1
InChIInChI=1S/C11H18N2O3/c1-4-9-6-10(16-13-9)7-12-11(14)8(3)15-5-2/h6,8H,4-5,7H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyQDYKUMXRCQCQEA-QMMMGPOBSA-N
MW226.28 g/mol
LogP1.28
Rot. Bonds6

About (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide

(2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide (PubChem CID 124506495) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide
PubChem CID124506495
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide
SMILESCCO[C@@H](C)C(=O)NCc1cc(CC)no1
InChIInChI=1S/C11H18N2O3/c1-4-9-6-10(16-13-9)7-12-11(14)8(3)15-5-2/h6,8H,4-5,7H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyQDYKUMXRCQCQEA-QMMMGPOBSA-N
XLogP1.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
(2R)-N-[(3-butyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164615120
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1,2-oxazol-5-yl)methyl]butanamide
CID 164623436
3-methyl-N-(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 3245069
N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194128
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
N-cyclopentyl-3-methylisoxazole-5-carboxamide
CID 5308964
N-(sec-butyl)-3-methylisoxazole-5-carboxamide
CID 9551511
(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164622759
N-butyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194127
3-propan-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 153635940
3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide
CID 95772134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide (CID 124506495) is (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide is CCO[C@@H](C)C(=O)NCc1cc(CC)no1.
What is the InChIKey of (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide?
The InChIKey is QDYKUMXRCQCQEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-9-6-10(16-13-9)7-12-11(14)8(3)15-5-2/h6,8H,4-5,7H2,1-3H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide?
(2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide has a molecular weight of 226.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 124506495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).