(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone

C11H15FN2O2 — CID 164634487

IUPAC(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCC[C@@H]1CF
InChIInChI=1S/C11H15FN2O2/c1-2-9-10(13-7-16-9)11(15)14-5-3-4-8(14)6-12/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyRTHUAKUVZMQBDY-MRVPVSSYSA-N
MW226.25 g/mol
LogP1.81
Rot. Bonds3

About (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone

(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 164634487) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID164634487
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCC[C@@H]1CF
InChIInChI=1S/C11H15FN2O2/c1-2-9-10(13-7-16-9)11(15)14-5-3-4-8(14)6-12/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyRTHUAKUVZMQBDY-MRVPVSSYSA-N
XLogP1.81
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2,2-Dimethylpropyl)-2-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45241079
(5-Ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71874733
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 84583797
(3aS*,6aR*)-5-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-3-(3-morpholin-4-ylpropyl)hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 56753245
2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 71873394
2-Azaspiro[4.5]decan-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 71929628
N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
N-ethyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75370517
N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide
CID 75420353
(3,4-Dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 86768650
Azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 97215367
1,3,3a,4,7,7a-Hexahydroisoindol-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 132282854

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone (CID 164634487) is (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone is CCc1ocnc1C(=O)N1CCC[C@@H]1CF.
What is the InChIKey of (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is RTHUAKUVZMQBDY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-9-10(13-7-16-9)11(15)14-5-3-4-8(14)6-12/h7-8H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone?
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 226.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164634487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).