(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

C12H20ClN3O2 — CID 75513671

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCCc1noc(C)c1C(=O)N1CCC(NC)C1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-4-10-11(8(2)17-14-10)12(16)15-6-5-9(7-15)13-3;/h9,13H,4-7H2,1-3H3;1H
InChIKeyUTTGSXRDJKPCLA-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.40
Rot. Bonds3

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 75513671) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID75513671
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCCc1noc(C)c1C(=O)N1CCC(NC)C1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-4-10-11(8(2)17-14-10)12(16)15-6-5-9(7-15)13-3;/h9,13H,4-7H2,1-3H3;1H
InChIKeyUTTGSXRDJKPCLA-UHFFFAOYSA-N
XLogP1.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416021
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775260
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 33363652
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758964
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70765790
N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110246506
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124960336
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124987262
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125010254
N-[(3R,4S)-4-cyclopropyl-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 72934443

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride (CID 75513671) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is CCc1noc(C)c1C(=O)N1CCC(NC)C1.Cl.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is UTTGSXRDJKPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-4-10-11(8(2)17-14-10)12(16)15-6-5-9(7-15)13-3;/h9,13H,4-7H2,1-3H3;1H.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 75513671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).