1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid

C24H25N3O5 — CID 144533642

IUPAC1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid
SMILESCCOC(=O)Nc1c(C)noc1-c1ccc(-c2ccc(N3CCC(C(=O)O)C3)cc2)cc1
InChIInChI=1S/C24H25N3O5/c1-3-31-24(30)25-21-15(2)26-32-22(21)18-6-4-16(5-7-18)17-8-10-20(11-9-17)27-13-12-19(14-27)23(28)29/h4-11,19H,3,12-14H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyFDNAFDRDIYSBAU-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.80
Rot. Bonds6

About 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid

1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 144533642) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid
PubChem CID144533642
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid
SMILESCCOC(=O)Nc1c(C)noc1-c1ccc(-c2ccc(N3CCC(C(=O)O)C3)cc2)cc1
InChIInChI=1S/C24H25N3O5/c1-3-31-24(30)25-21-15(2)26-32-22(21)18-6-4-16(5-7-18)17-8-10-20(11-9-17)27-13-12-19(14-27)23(28)29/h4-11,19H,3,12-14H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyFDNAFDRDIYSBAU-UHFFFAOYSA-N
XLogP4.80
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid (CID 144533642) is 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid is CCOC(=O)Nc1c(C)noc1-c1ccc(-c2ccc(N3CCC(C(=O)O)C3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FDNAFDRDIYSBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-3-31-24(30)25-21-15(2)26-32-22(21)18-6-4-16(5-7-18)17-8-10-20(11-9-17)27-13-12-19(14-27)23(28)29/h4-11,19H,3,12-14H2,1-2H3,(H,25,30)(H,28,29).
What are the key properties of 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid?
1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 435.48 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(ethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 144533642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).