N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C13H19N3O3 — CID 113192481

IUPACN-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2cc(C)on2)C1
InChIInChI=1S/C13H19N3O3/c1-4-8(2)14-13(18)10-6-12(17)16(7-10)11-5-9(3)19-15-11/h5,8,10H,4,6-7H2,1-3H3,(H,14,18)
InChIKeyUKUZUOBGMFSWPL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.25
Rot. Bonds4

About N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192481) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113192481
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2cc(C)on2)C1
InChIInChI=1S/C13H19N3O3/c1-4-8(2)14-13(18)10-6-12(17)16(7-10)11-5-9(3)19-15-11/h5,8,10H,4,6-7H2,1-3H3,(H,14,18)
InChIKeyUKUZUOBGMFSWPL-UHFFFAOYSA-N
XLogP1.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113192503
N-[3-(dimethylamino)propyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192494
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
1-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192567
N-[(4-fluorophenyl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192507
N-(3,4-dichlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192655
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187561
1-(4-bromo-3-methylphenyl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 113190392

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 113192481) is N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CCC(C)NC(=O)C1CC(=O)N(c2cc(C)on2)C1.
What is the InChIKey of N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UKUZUOBGMFSWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-8(2)14-13(18)10-6-12(17)16(7-10)11-5-9(3)19-15-11/h5,8,10H,4,6-7H2,1-3H3,(H,14,18).
What are the key properties of N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).