[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C18H27N5O3 — CID 70722232

IUPAC[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCOCCc1noc([C@@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)n1
InChIInChI=1S/C18H27N5O3/c1-12(2)10-13-11-15(22(3)20-13)18(24)23-8-5-6-14(23)17-19-16(21-26-17)7-9-25-4/h11-12,14H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyDSHLEERAKKKTIY-AWEZNQCLSA-N
MW361.45 g/mol
LogP2.17
Rot. Bonds7

About [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 70722232) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID70722232
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCOCCc1noc([C@@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)n1
InChIInChI=1S/C18H27N5O3/c1-12(2)10-13-11-15(22(3)20-13)18(24)23-8-5-6-14(23)17-19-16(21-26-17)7-9-25-4/h11-12,14H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyDSHLEERAKKKTIY-AWEZNQCLSA-N
XLogP2.17
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1,5-Dimethylpyrazol-3-yl)-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56686172
1-(2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-ethanone
CID 91920774
[(2S,3aS,6aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97392513
(5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 110203120
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 110203127
5-[1-(5-Cyclopropyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-YL]-3-ethyl-1,2,4-oxadiazole
CID 110203240
1-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)-3-[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]piperidine
CID 91918778
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{2-[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]pyrrolidin-1-YL}propan-1-one
CID 91908095
3-[1-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-YL]-5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazole
CID 91909837
5-Cyclopropyl-3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazole
CID 91915225
1-(1,3-Dimethyl-1H-pyrazole-5-carbonyl)-4-[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]piperidine
CID 91918723
(1,3-dimethyl-1H-pyrazol-5-yl)[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)piperidino]methanone
CID 91918779

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 70722232) is [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is COCCc1noc([C@@H]2CCCN2C(=O)c2cc(CC(C)C)nn2C)n1.
What is the InChIKey of [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is DSHLEERAKKKTIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-12(2)10-13-11-15(22(3)20-13)18(24)23-8-5-6-14(23)17-19-16(21-26-17)7-9-25-4/h11-12,14H,5-10H2,1-4H3/t14-/m0/s1.
What are the key properties of [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 70722232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).