2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide

C20H23N5O3 — CID 95867707

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C20H23N5O3/c1-13-16(14(2)25(23-13)15-7-4-3-5-8-15)11-19(26)21-12-18-22-20(28-24-18)17-9-6-10-27-17/h3-5,7-8,17H,6,9-12H2,1-2H3,(H,21,26)/t17-/m0/s1
InChIKeyXSFTZWLJXLUZKU-KRWDZBQOSA-N
MW381.44 g/mol
LogP2.58
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 95867707) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID95867707
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C20H23N5O3/c1-13-16(14(2)25(23-13)15-7-4-3-5-8-15)11-19(26)21-12-18-22-20(28-24-18)17-9-6-10-27-17/h3-5,7-8,17H,6,9-12H2,1-2H3,(H,21,26)/t17-/m0/s1
InChIKeyXSFTZWLJXLUZKU-KRWDZBQOSA-N
XLogP2.58
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97110290
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143283
3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 125164412
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
2-(5-acetylthiophen-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 118769200
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 95867707) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1noc([C@@H]2CCCO2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is XSFTZWLJXLUZKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-16(14(2)25(23-13)15-7-4-3-5-8-15)11-19(26)21-12-18-22-20(28-24-18)17-9-6-10-27-17/h3-5,7-8,17H,6,9-12H2,1-2H3,(H,21,26)/t17-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 95867707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).