[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

C16H22N4O2 — CID 50809106

IUPAC[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1ccnn1CC
InChIInChI=1S/C16H22N4O2/c1-4-14-15(11(3)18-22-14)12-7-6-10-19(12)16(21)13-8-9-17-20(13)5-2/h8-9,12H,4-7,10H2,1-3H3
InChIKeyHZSILJFOANUQQL-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.74
Rot. Bonds4

About [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone

[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 50809106) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID50809106
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1ccnn1CC
InChIInChI=1S/C16H22N4O2/c1-4-14-15(11(3)18-22-14)12-7-6-10-19(12)16(21)13-8-9-17-20(13)5-2/h8-9,12H,4-7,10H2,1-3H3
InChIKeyHZSILJFOANUQQL-UHFFFAOYSA-N
XLogP2.74
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylpyrazol-3-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747406
(2-chloro-6-fluorophenyl)-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92877766
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 50809164
(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92732734
[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-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92877742
1-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92893873
N-(4-bromophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808695
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894316
methyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894383
ethyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894354

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 50809106) is [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCc1onc(C)c1C1CCCN1C(=O)c1ccnn1CC.
What is the InChIKey of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is HZSILJFOANUQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-14-15(11(3)18-22-14)12-7-6-10-19(12)16(21)13-8-9-17-20(13)5-2/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 50809106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).