2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone

C10H14N2O2 — CID 142572752

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1cc(CC(=O)N2CCCC2)on1
InChIInChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)7-10(13)12-4-2-3-5-12/h6H,2-5,7H2,1H3
InChIKeyPAVRVEBMUWGXIT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.15
Rot. Bonds2

About 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone

2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 142572752) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
PubChem CID142572752
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1cc(CC(=O)N2CCCC2)on1
InChIInChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)7-10(13)12-4-2-3-5-12/h6H,2-5,7H2,1H3
InChIKeyPAVRVEBMUWGXIT-UHFFFAOYSA-N
XLogP1.15
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-1-(4-pent-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 134707125
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 134703380
2-(3-methyl-1,2-oxazol-5-yl)-1-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134713194
1-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 165417299
2-(3-methyl-1,2-oxazol-5-yl)-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 124753059
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162629408
1-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 134706407
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70738719
2-(2-chlorophenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 56810432
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123930502
(5S)-2-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97123414

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone (CID 142572752) is 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone is Cc1cc(CC(=O)N2CCCC2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is PAVRVEBMUWGXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)7-10(13)12-4-2-3-5-12/h6H,2-5,7H2,1H3.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone?
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 194.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 142572752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).