(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid

C16H19N3O3 — CID 70747430

IUPAC(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1CN1C[C@@H](C(=O)O)[C@H](c2ccccn2)C1
InChIInChI=1S/C16H19N3O3/c1-10-12(11(2)22-18-10)7-19-8-13(14(9-19)16(20)21)15-5-3-4-6-17-15/h3-6,13-14H,7-9H2,1-2H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyUZGKQDGPJWZDRO-ZIAGYGMSSA-N
MW301.35 g/mol
LogP1.99
Rot. Bonds4

About (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid

(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 70747430) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID70747430
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESCc1noc(C)c1CN1C[C@@H](C(=O)O)[C@H](c2ccccn2)C1
InChIInChI=1S/C16H19N3O3/c1-10-12(11(2)22-18-10)7-19-8-13(14(9-19)16(20)21)15-5-3-4-6-17-15/h3-6,13-14H,7-9H2,1-2H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyUZGKQDGPJWZDRO-ZIAGYGMSSA-N
XLogP1.99
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-Methyl-3-(pyridin-4-yl)-1,2-oxazole-4-carboxylic acid
CID 656040
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
1-O-tert-butyl 4-O-methyl 4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,4-dicarboxylate
CID 24856194
4-(3-(4-fluorophenyl)isoxazol-5-yl)-1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidine
CID 44562565
5-Methyl-3-pyridin-3-yl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 137638393
5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-oxazole
CID 137651298
N,5-dimethyl-3-phenyl-N-[2-(2-pyridinyl)ethyl]-4-isoxazolecarboxamide
CID 2814675
US10343992, Example 273
CID 122590562
4-[5-[1-(4,4-difluorocyclohexyl)pentyl]-7-methyl-7H-cyclopenta[b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole
CID 147626697
1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol
CID 154732834

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (CID 70747430) is (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is Cc1noc(C)c1CN1C[C@@H](C(=O)O)[C@H](c2ccccn2)C1.
What is the InChIKey of (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is UZGKQDGPJWZDRO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-12(11(2)22-18-10)7-19-8-13(14(9-19)16(20)21)15-5-3-4-6-17-15/h3-6,13-14H,7-9H2,1-2H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70747430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).