4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid

C19H23N3O4 — CID 110129067

IUPAC4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESCc1noc(C)c1-c1cccc(CC2CCN(C(=O)CCC(=O)O)C2)n1
InChIInChI=1S/C19H23N3O4/c1-12-19(13(2)26-21-12)16-5-3-4-15(20-16)10-14-8-9-22(11-14)17(23)6-7-18(24)25/h3-5,14H,6-11H2,1-2H3,(H,24,25)
InChIKeyUDMMFOAVXBCJTD-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.61
Rot. Bonds6

About 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid

4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid (PubChem CID 110129067) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid
PubChem CID110129067
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid
SMILESCc1noc(C)c1-c1cccc(CC2CCN(C(=O)CCC(=O)O)C2)n1
InChIInChI=1S/C19H23N3O4/c1-12-19(13(2)26-21-12)16-5-3-4-15(20-16)10-14-8-9-22(11-14)17(23)6-7-18(24)25/h3-5,14H,6-11H2,1-2H3,(H,24,25)
InChIKeyUDMMFOAVXBCJTD-UHFFFAOYSA-N
XLogP2.61
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid (CID 110129067) is 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid is Cc1noc(C)c1-c1cccc(CC2CCN(C(=O)CCC(=O)O)C2)n1.
What is the InChIKey of 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid?
The InChIKey is UDMMFOAVXBCJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-19(13(2)26-21-12)16-5-3-4-15(20-16)10-14-8-9-22(11-14)17(23)6-7-18(24)25/h3-5,14H,6-11H2,1-2H3,(H,24,25).
What are the key properties of 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid?
4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 110129067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).