N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C18H22N4O3 — CID 125010340

IUPACN-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCCc1cc(C(=O)N2CCC[C@H]2c2ccnc(CNC(C)=O)c2)on1
InChIInChI=1S/C18H22N4O3/c1-3-14-10-17(25-21-14)18(24)22-8-4-5-16(22)13-6-7-19-15(9-13)11-20-12(2)23/h6-7,9-10,16H,3-5,8,11H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyVISRWUWHVWPRTL-INIZCTEOSA-N
MW342.40 g/mol
LogP2.25
Rot. Bonds5

About N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 125010340) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID125010340
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCCc1cc(C(=O)N2CCC[C@H]2c2ccnc(CNC(C)=O)c2)on1
InChIInChI=1S/C18H22N4O3/c1-3-14-10-17(25-21-14)18(24)22-8-4-5-16(22)13-6-7-19-15(9-13)11-20-12(2)23/h6-7,9-10,16H,3-5,8,11H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyVISRWUWHVWPRTL-INIZCTEOSA-N
XLogP2.25
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124969908
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107927
N-[[4-[1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095748
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
N-[[4-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107915
N-[[4-[1-(2-thiophen-2-ylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095732
N-[[4-[(2S)-1-ethylsulfonylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125013312
N-[[4-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124990507
N-[[4-[(2R)-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124971837
N-[[4-[1-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107923

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 125010340) is N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CCc1cc(C(=O)N2CCC[C@H]2c2ccnc(CNC(C)=O)c2)on1.
What is the InChIKey of N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is VISRWUWHVWPRTL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-14-10-17(25-21-14)18(24)22-8-4-5-16(22)13-6-7-19-15(9-13)11-20-12(2)23/h6-7,9-10,16H,3-5,8,11H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 125010340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).