2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid

C19H23N3O4 — CID 50951772

IUPAC2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cccc(NCC(=O)O)c2)no1
InChIInChI=1S/C19H23N3O4/c1-12(2)17-10-15(21-26-17)16-7-4-8-22(16)19(25)13-5-3-6-14(9-13)20-11-18(23)24/h3,5-6,9-10,12,16,20H,4,7-8,11H2,1-2H3,(H,23,24)
InChIKeySRYHDNFMLVQAJO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.27
Rot. Bonds6

About 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid

2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid (PubChem CID 50951772) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid
PubChem CID50951772
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cccc(NCC(=O)O)c2)no1
InChIInChI=1S/C19H23N3O4/c1-12(2)17-10-15(21-26-17)16-7-4-8-22(16)19(25)13-5-3-6-14(9-13)20-11-18(23)24/h3,5-6,9-10,12,16,20H,4,7-8,11H2,1-2H3,(H,23,24)
InChIKeySRYHDNFMLVQAJO-UHFFFAOYSA-N
XLogP3.27
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylphenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95052029
(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586684
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
(4-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586683
(4-fluorophenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731701
(2-fluorophenyl)-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731704
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95051971
N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001088
(2R)-N-cyclohexyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070287
[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 91782819
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 50809168
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 93070162

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid?
The IUPAC name of 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid (CID 50951772) is 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid.
What is the SMILES notation for 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid?
The canonical SMILES for 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid is CC(C)c1cc(C2CCCN2C(=O)c2cccc(NCC(=O)O)c2)no1.
What is the InChIKey of 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid?
The InChIKey is SRYHDNFMLVQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(2)17-10-15(21-26-17)16-7-4-8-22(16)19(25)13-5-3-6-14(9-13)20-11-18(23)24/h3,5-6,9-10,12,16,20H,4,7-8,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid?
2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid is sourced from PubChem (CID 50951772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).