(2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide

C18H23N3O2 — CID 129492579

IUPAC(2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide
SMILESCC[C@H]1OCCC[C@@H]1C(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C18H23N3O2/c1-2-17-15(8-5-12-23-17)18(22)19-13-14-7-3-4-9-16(14)21-11-6-10-20-21/h3-4,6-7,9-11,15,17H,2,5,8,12-13H2,1H3,(H,19,22)/t15-,17+/m0/s1
InChIKeyXRMYRWIVHLKAGR-DOTOQJQBSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds5

About (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide

(2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide (PubChem CID 129492579) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide
PubChem CID129492579
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide
SMILESCC[C@H]1OCCC[C@@H]1C(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C18H23N3O2/c1-2-17-15(8-5-12-23-17)18(22)19-13-14-7-3-4-9-16(14)21-11-6-10-20-21/h3-4,6-7,9-11,15,17H,2,5,8,12-13H2,1H3,(H,19,22)/t15-,17+/m0/s1
InChIKeyXRMYRWIVHLKAGR-DOTOQJQBSA-N
XLogP2.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide with MolForge

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Related Compounds

methyl 5-({1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}amino)-5-oxopentanoate
CID 16187810
2-(oxolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47035643
Propan-2-yl 3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 53525130
4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 56820948
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide
CID 71994287
N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-3-(oxan-2-yl)propanamide
CID 72019031
[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate
CID 164513189
N-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]ethyl}-1-(methoxymethyl)cyclobutanecarboxamide
CID 50955281
N-[[(2R)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52290767
N-[1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxane-2-carboxamide
CID 71986070
(3S)-N-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]oxane-3-carboxamide
CID 124847339
2-methyl-N-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]oxane-3-carboxamide
CID 128046624

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide?
The IUPAC name of (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide (CID 129492579) is (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide is CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide?
The InChIKey is XRMYRWIVHLKAGR-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-17-15(8-5-12-23-17)18(22)19-13-14-7-3-4-9-16(14)21-11-6-10-20-21/h3-4,6-7,9-11,15,17H,2,5,8,12-13H2,1H3,(H,19,22)/t15-,17+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide?
(2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 129492579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).