[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone

C20H22N4O3 — CID 92901994

IUPAC[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCCn1nccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2OC)on1
InChIInChI=1S/C20H22N4O3/c1-3-24-17(10-11-21-24)16-8-6-12-23(16)20(25)15-13-19(27-22-15)14-7-4-5-9-18(14)26-2/h4-5,7,9-11,13,16H,3,6,8,12H2,1-2H3/t16-/m1/s1
InChIKeyPXIAQDYMJLWMBK-MRXNPFEDSA-N
MW366.42 g/mol
LogP3.54
Rot. Bonds5

About [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone

[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 92901994) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID92901994
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
SMILESCCn1nccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2OC)on1
InChIInChI=1S/C20H22N4O3/c1-3-24-17(10-11-21-24)16-8-6-12-23(16)20(25)15-13-19(27-22-15)14-7-4-5-9-18(14)26-2/h4-5,7,9-11,13,16H,3,6,8,12H2,1-2H3/t16-/m1/s1
InChIKeyPXIAQDYMJLWMBK-MRXNPFEDSA-N
XLogP3.54
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone 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

[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 92901991
[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51856413
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893801
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796
(2R)-2-(2-ethylpyrazol-3-yl)-N-phenylpyrrolidine-1-carboxamide
CID 51612994
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893519
4-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456522
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51660353
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95057584
[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 49028493
2-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]benzonitrile
CID 146230062

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone (CID 92901994) is [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone is CCn1nccc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2OC)on1.
What is the InChIKey of [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is PXIAQDYMJLWMBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-24-17(10-11-21-24)16-8-6-12-23(16)20(25)15-13-19(27-22-15)14-7-4-5-9-18(14)26-2/h4-5,7,9-11,13,16H,3,6,8,12H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone?
[(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 92901994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).