1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid

C18H23N3O4 — CID 122119078

IUPAC1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(-n2c(C)cc(C(=O)N3CC(C)CC(C(=O)O)C3)c2C)no1
InChIInChI=1S/C18H23N3O4/c1-10-5-14(18(23)24)9-20(8-10)17(22)15-6-11(2)21(13(15)4)16-7-12(3)25-19-16/h6-7,10,14H,5,8-9H2,1-4H3,(H,23,24)
InChIKeyLBOCEQVXCRARJV-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.57
Rot. Bonds3

About 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid

1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122119078) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122119078
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(-n2c(C)cc(C(=O)N3CC(C)CC(C(=O)O)C3)c2C)no1
InChIInChI=1S/C18H23N3O4/c1-10-5-14(18(23)24)9-20(8-10)17(22)15-6-11(2)21(13(15)4)16-7-12(3)25-19-16/h6-7,10,14H,5,8-9H2,1-4H3,(H,23,24)
InChIKeyLBOCEQVXCRARJV-UHFFFAOYSA-N
XLogP2.57
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
CID 120749714
[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
CID 119485066
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490318
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835942
1-[4-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperazin-1-yl]-2-methoxyethanone
CID 78882569
(2,5-dimethyl-1-phenylpyrrol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 46798353
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
CID 99808864
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 122118408
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86921369
1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354818

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid (CID 122119078) is 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid is Cc1cc(-n2c(C)cc(C(=O)N3CC(C)CC(C(=O)O)C3)c2C)no1.
What is the InChIKey of 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is LBOCEQVXCRARJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-10-5-14(18(23)24)9-20(8-10)17(22)15-6-11(2)21(13(15)4)16-7-12(3)25-19-16/h6-7,10,14H,5,8-9H2,1-4H3,(H,23,24).
What are the key properties of 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid?
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122119078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).