3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

C18H23N3O4 — CID 166615660

IUPAC3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCOCCN1CCC(CNc2noc(-c3ccccc3)c2C(=O)O)C1
InChIInChI=1S/C18H23N3O4/c1-24-10-9-21-8-7-13(12-21)11-19-17-15(18(22)23)16(25-20-17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,20)(H,22,23)
InChIKeyYOSCKGNSFQGPMW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.42
Rot. Bonds8

About 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 166615660) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
PubChem CID166615660
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCOCCN1CCC(CNc2noc(-c3ccccc3)c2C(=O)O)C1
InChIInChI=1S/C18H23N3O4/c1-24-10-9-21-8-7-13(12-21)11-19-17-15(18(22)23)16(25-20-17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,20)(H,22,23)
InChIKeyYOSCKGNSFQGPMW-UHFFFAOYSA-N
XLogP2.42
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-cyclopentylpyrrolidin-3-yl)methylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135113101
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95159322
3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 135102807
N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine
CID 171359305
5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid
CID 135091251
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 45169071
2-benzyl-1-[(2S)-butan-2-yl]-3-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]guanidine
CID 95761088

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid (CID 166615660) is 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid is COCCN1CCC(CNc2noc(-c3ccccc3)c2C(=O)O)C1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is YOSCKGNSFQGPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-24-10-9-21-8-7-13(12-21)11-19-17-15(18(22)23)16(25-20-17)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 166615660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).