(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C15H15N3O4 — CID 122112227

IUPAC(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2cc(-c3ccccn3)no2)C[C@H]1C(=O)O
InChIInChI=1S/C15H15N3O4/c1-9-7-18(8-10(9)15(20)21)14(19)13-6-12(17-22-13)11-4-2-3-5-16-11/h2-6,9-10H,7-8H2,1H3,(H,20,21)/t9-,10-/m1/s1
InChIKeyRELBBVKSIHWYJW-NXEZZACHSA-N
MW301.30 g/mol
LogP1.53
Rot. Bonds3

About (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid

(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 122112227) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID122112227
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(C(=O)c2cc(-c3ccccn3)no2)C[C@H]1C(=O)O
InChIInChI=1S/C15H15N3O4/c1-9-7-18(8-10(9)15(20)21)14(19)13-6-12(17-22-13)11-4-2-3-5-16-11/h2-6,9-10H,7-8H2,1H3,(H,20,21)/t9-,10-/m1/s1
InChIKeyRELBBVKSIHWYJW-NXEZZACHSA-N
XLogP1.53
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952058
4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 128536760
(4-cyclopentyl-1,4-diazepan-1-yl)-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 71925428
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 129358849
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
CID 120806988
(3S,4S)-4-methyl-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952162
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(3S,4R)-4-phenyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 70716066
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 167798280
(3S,4S)-4-methyl-1-[2-(propan-2-ylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 122112300

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 122112227) is (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid is C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)no2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RELBBVKSIHWYJW-NXEZZACHSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-7-18(8-10(9)15(20)21)14(19)13-6-12(17-22-13)11-4-2-3-5-16-11/h2-6,9-10H,7-8H2,1H3,(H,20,21)/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122112227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).