(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone

C17H26N2O2 — CID 119041972

IUPAC(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESCCC(C)c1cc(C(=O)N2CCCC2C2CCCC2)on1
InChIInChI=1S/C17H26N2O2/c1-3-12(2)14-11-16(21-18-14)17(20)19-10-6-9-15(19)13-7-4-5-8-13/h11-13,15H,3-10H2,1-2H3
InChIKeyJTDCSXKRLMFPCK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.98
Rot. Bonds4

About (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone

(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone (PubChem CID 119041972) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
PubChem CID119041972
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
SMILESCCC(C)c1cc(C(=O)N2CCCC2C2CCCC2)on1
InChIInChI=1S/C17H26N2O2/c1-3-12(2)14-11-16(21-18-14)17(20)19-10-6-9-15(19)13-7-4-5-8-13/h11-13,15H,3-10H2,1-2H3
InChIKeyJTDCSXKRLMFPCK-UHFFFAOYSA-N
XLogP3.98
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683417
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683414
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95776588
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
CID 154759823
[2-(aminomethyl)piperidin-1-yl]-(3-pentan-3-yl-1,2-oxazol-5-yl)methanone
CID 119466515
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95776563
(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid
CID 129414739
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92731594
(3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803013

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone (CID 119041972) is (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone is CCC(C)c1cc(C(=O)N2CCCC2C2CCCC2)on1.
What is the InChIKey of (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
The InChIKey is JTDCSXKRLMFPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-12(2)14-11-16(21-18-14)17(20)19-10-6-9-15(19)13-7-4-5-8-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone?
(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 119041972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).