N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide

C14H23N3O2 — CID 50956018

IUPACN-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide
SMILESCC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2cnn(CC)c2)O1
InChIInChI=1S/C14H23N3O2/c1-4-13-6-12(16-10(3)18)7-14(19-13)11-8-15-17(5-2)9-11/h8-9,12-14H,4-7H2,1-3H3,(H,16,18)/t12-,13+,14+/m1/s1
InChIKeyGEGULAJUJMKDSS-RDBSUJKOSA-N
MW265.36 g/mol
LogP2.04
Rot. Bonds4

About N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide (PubChem CID 50956018) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide
PubChem CID50956018
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide
SMILESCC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2cnn(CC)c2)O1
InChIInChI=1S/C14H23N3O2/c1-4-13-6-12(16-10(3)18)7-14(19-13)11-8-15-17(5-2)9-11/h8-9,12-14H,4-7H2,1-3H3,(H,16,18)/t12-,13+,14+/m1/s1
InChIKeyGEGULAJUJMKDSS-RDBSUJKOSA-N
XLogP2.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
4-[5-(bromomethyl)oxolan-2-yl]-1-ethylpyrazole
CID 130583419
N-[(2S,4R,6S)-2-(4-chlorophenyl)-6-(2-methylpropyl)oxan-4-yl]acetamide
CID 133138062
[(2R,5R)-5-ethyloxolan-2-yl]-[(3S)-3-(1-ethylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 129335151
2-ethyl-3-(1-ethylpyrazol-4-yl)cyclobutan-1-one
CID 81415447
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide
CID 97218795
N-cyclopropyl-2-(1-ethylpyrazol-4-yl)oxypropanamide
CID 116804714
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858
1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
CID 126841376
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide (CID 50956018) is N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide is CC[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2cnn(CC)c2)O1.
What is the InChIKey of N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide?
The InChIKey is GEGULAJUJMKDSS-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-13-6-12(16-10(3)18)7-14(19-13)11-8-15-17(5-2)9-11/h8-9,12-14H,4-7H2,1-3H3,(H,16,18)/t12-,13+,14+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-ethyl-6-(1-ethylpyrazol-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 50956018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).