2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid

C26H29N3O6 — CID 67663433

IUPAC2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid
SMILESCCCC1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC(Cc2n[nH]c(=O)o2)C1CC(=O)O
InChIInChI=1S/C26H29N3O6/c1-2-12-26(15-18(21(26)14-23(30)31)13-22-28-29-25(33)35-22)24(32)27-16-17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h3-11,18,21H,2,12-16H2,1H3,(H,27,32)(H,29,33)(H,30,31)
InChIKeySOIRVWINBLZENM-UHFFFAOYSA-N
MW479.53 g/mol
LogP3.91
Rot. Bonds11

About 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid

2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid (PubChem CID 67663433) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid
PubChem CID67663433
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid
SMILESCCCC1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC(Cc2n[nH]c(=O)o2)C1CC(=O)O
InChIInChI=1S/C26H29N3O6/c1-2-12-26(15-18(21(26)14-23(30)31)13-22-28-29-25(33)35-22)24(32)27-16-17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h3-11,18,21H,2,12-16H2,1H3,(H,27,32)(H,29,33)(H,30,31)
InChIKeySOIRVWINBLZENM-UHFFFAOYSA-N
XLogP3.91
TPSA134.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic 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 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid?
The IUPAC name of 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid (CID 67663433) is 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid?
The canonical SMILES for 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid is CCCC1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC(Cc2n[nH]c(=O)o2)C1CC(=O)O.
What is the InChIKey of 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid?
The InChIKey is SOIRVWINBLZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-2-12-26(15-18(21(26)14-23(30)31)13-22-28-29-25(33)35-22)24(32)27-16-17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h3-11,18,21H,2,12-16H2,1H3,(H,27,32)(H,29,33)(H,30,31).
What are the key properties of 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid?
2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid has a molecular weight of 479.53 g/mol, XLogP of 3.91, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]-2-[(4-phenoxyphenyl)methylcarbamoyl]-2-propylcyclobutyl]acetic acid is sourced from PubChem (CID 67663433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).