2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide

C12H17N3O3 — CID 71789161

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C12H17N3O3/c1-7-10(8(2)18-14-7)5-11(16)13-9-4-12(17)15(3)6-9/h9H,4-6H2,1-3H3,(H,13,16)
InChIKeySKDADUDGDWJJTJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.18
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide (PubChem CID 71789161) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
PubChem CID71789161
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C12H17N3O3/c1-7-10(8(2)18-14-7)5-11(16)13-9-4-12(17)15(3)6-9/h9H,4-6H2,1-3H3,(H,13,16)
InChIKeySKDADUDGDWJJTJ-UHFFFAOYSA-N
XLogP0.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
CID 94800294
2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide
CID 97003081
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]propanamide
CID 45211347
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510
N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 42393803
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenylcyclohexyl)acetamide
CID 51646513
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
CID 126983919
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide
CID 99798346
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]acetamide
CID 122560707
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95342704
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide (CID 71789161) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide is Cc1noc(C)c1CC(=O)NC1CC(=O)N(C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is SKDADUDGDWJJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-10(8(2)18-14-7)5-11(16)13-9-4-12(17)15(3)6-9/h9H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 71789161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).