2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

C15H17N3O3 — CID 50951702

IUPAC2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1cc(C2CCCN2Cc2ncccc2C(=O)O)on1
InChIInChI=1S/C15H17N3O3/c1-10-8-14(21-17-10)13-5-3-7-18(13)9-12-11(15(19)20)4-2-6-16-12/h2,4,6,8,13H,3,5,7,9H2,1H3,(H,19,20)
InChIKeySSIOMYARXNNPHW-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.41
Rot. Bonds4

About 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 50951702) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID50951702
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1cc(C2CCCN2Cc2ncccc2C(=O)O)on1
InChIInChI=1S/C15H17N3O3/c1-10-8-14(21-17-10)13-5-3-7-18(13)9-12-11(15(19)20)4-2-6-16-12/h2,4,6,8,13H,3,5,7,9H2,1H3,(H,19,20)
InChIKeySSIOMYARXNNPHW-UHFFFAOYSA-N
XLogP2.41
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 82187666
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99957100
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 91763073
2-[[2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50975136
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056201
5-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53034979
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
2,3-dimethyl-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76992612

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 50951702) is 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is Cc1cc(C2CCCN2Cc2ncccc2C(=O)O)on1.
What is the InChIKey of 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is SSIOMYARXNNPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-8-14(21-17-10)13-5-3-7-18(13)9-12-11(15(19)20)4-2-6-16-12/h2,4,6,8,13H,3,5,7,9H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50951702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).