2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C15H20N4O3 — CID 70786999

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(CC(=O)N2CCCC2c2nc(C(C)C)no2)on1
InChIInChI=1S/C15H20N4O3/c1-9(2)14-16-15(22-18-14)12-5-4-6-19(12)13(20)8-11-7-10(3)17-21-11/h7,9,12H,4-6,8H2,1-3H3
InChIKeyWQQCIBOENJDYSJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.40
Rot. Bonds4

About 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 70786999) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID70786999
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(CC(=O)N2CCCC2c2nc(C(C)C)no2)on1
InChIInChI=1S/C15H20N4O3/c1-9(2)14-16-15(22-18-14)12-5-4-6-19(12)13(20)8-11-7-10(3)17-21-11/h7,9,12H,4-6,8H2,1-3H3
InChIKeyWQQCIBOENJDYSJ-UHFFFAOYSA-N
XLogP2.40
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(3-Methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 47035640
[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296925
[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56686230
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71872470
N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-amine
CID 72143237
3-[1-[(3-Methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72149394
5-Methyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72149501
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 75373759
5-[4,4-Difluoro-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-YL]-3-methyl-1,2,4-oxadiazole
CID 110203084
[(2S)-4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110203086
3-Cyclopropyl-5-[4,4-difluoro-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-YL]-1,2,4-oxadiazole
CID 110203094
[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110203096

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 70786999) is 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1cc(CC(=O)N2CCCC2c2nc(C(C)C)no2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is WQQCIBOENJDYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9(2)14-16-15(22-18-14)12-5-4-6-19(12)13(20)8-11-7-10(3)17-21-11/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 304.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 70786999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).