4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one

C15H20N4O3 — CID 94112164

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESCc1noc(CCCC(=O)N2CCC[C@H]2c2cc(C)on2)n1
InChIInChI=1S/C15H20N4O3/c1-10-9-12(18-21-10)13-5-4-8-19(13)15(20)7-3-6-14-16-11(2)17-22-14/h9,13H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyKSNLSZKPSULOPB-ZDUSSCGKSA-N
MW304.35 g/mol
LogP2.36
Rot. Bonds5

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one

4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 94112164) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID94112164
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESCc1noc(CCCC(=O)N2CCC[C@H]2c2cc(C)on2)n1
InChIInChI=1S/C15H20N4O3/c1-10-9-12(18-21-10)13-5-4-8-19(13)15(20)7-3-6-14-16-11(2)17-22-14/h9,13H,3-8H2,1-2H3/t13-/m0/s1
InChIKeyKSNLSZKPSULOPB-ZDUSSCGKSA-N
XLogP2.36
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126442291
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95978540
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
3-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 157017436
1-[3-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]azepan-2-one
CID 131940846
3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110093679
4-[2-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538331
1-[(3S)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 94111474
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-7-phenyl-1,4-diazepan-5-one
CID 56798349

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one (CID 94112164) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one is Cc1noc(CCCC(=O)N2CCC[C@H]2c2cc(C)on2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is KSNLSZKPSULOPB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-10-9-12(18-21-10)13-5-4-8-19(13)15(20)7-3-6-14-16-11(2)17-22-14/h9,13H,3-8H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 304.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 94112164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).