(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide

C16H18N6O3 — CID 100759002

IUPAC(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(-c2noc(CNC(=O)[C@H](C)n3cccn3)n2)cn1
InChIInChI=1S/C16H18N6O3/c1-3-24-13-6-5-12(9-17-13)15-20-14(25-21-15)10-18-16(23)11(2)22-8-4-7-19-22/h4-9,11H,3,10H2,1-2H3,(H,18,23)/t11-/m0/s1
InChIKeyHQCCZRBBLIOMGW-NSHDSACASA-N
MW342.36 g/mol
LogP1.60
Rot. Bonds7

About (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 100759002) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
PubChem CID100759002
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(-c2noc(CNC(=O)[C@H](C)n3cccn3)n2)cn1
InChIInChI=1S/C16H18N6O3/c1-3-24-13-6-5-12(9-17-13)15-20-14(25-21-15)10-18-16(23)11(2)22-8-4-7-19-22/h4-9,11H,3,10H2,1-2H3,(H,18,23)/t11-/m0/s1
InChIKeyHQCCZRBBLIOMGW-NSHDSACASA-N
XLogP1.60
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide with MolForge

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Related Compounds

N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819291
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91819320
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819345
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91819293
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 91819290
(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
CID 100758962
(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 29115342
(2S,3R)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351937
(2R,3S)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351940
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
(2S)-2-amino-N-[[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
CID 120840798

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide (CID 100759002) is (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide is CCOc1ccc(-c2noc(CNC(=O)[C@H](C)n3cccn3)n2)cn1.
What is the InChIKey of (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is HQCCZRBBLIOMGW-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N6O3/c1-3-24-13-6-5-12(9-17-13)15-20-14(25-21-15)10-18-16(23)11(2)22-8-4-7-19-22/h4-9,11H,3,10H2,1-2H3,(H,18,23)/t11-/m0/s1.
What are the key properties of (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 342.36 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 100759002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).