methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate

C24H26ClN3O4 — CID 67234551

IUPACmethyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC[C@H]1Nc1ccc(-c2nc(-c3ccc(OC(C)C)c(Cl)c3)no2)cc1
InChIInChI=1S/C24H26ClN3O4/c1-14(2)31-21-12-9-16(13-19(21)25)22-27-23(32-28-22)15-7-10-17(11-8-15)26-20-6-4-5-18(20)24(29)30-3/h7-14,18,20,26H,4-6H2,1-3H3/t18?,20-/m1/s1
InChIKeyCRADCIKJZPECDC-ROPPNANJSA-N
MW455.94 g/mol
LogP5.60
Rot. Bonds7

About methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate

methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate (PubChem CID 67234551) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate
PubChem CID67234551
Molecular FormulaC24H26ClN3O4
Molecular Weight455.94 g/mol
Exact Mass455.16
IUPAC Namemethyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC[C@H]1Nc1ccc(-c2nc(-c3ccc(OC(C)C)c(Cl)c3)no2)cc1
InChIInChI=1S/C24H26ClN3O4/c1-14(2)31-21-12-9-16(13-19(21)25)22-27-23(32-28-22)15-7-10-17(11-8-15)26-20-6-4-5-18(20)24(29)30-3/h7-14,18,20,26H,4-6H2,1-3H3/t18?,20-/m1/s1
InChIKeyCRADCIKJZPECDC-ROPPNANJSA-N
XLogP5.60
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.94
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate 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 methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate?
The IUPAC name of methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate (CID 67234551) is methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate is COC(=O)C1CCC[C@H]1Nc1ccc(-c2nc(-c3ccc(OC(C)C)c(Cl)c3)no2)cc1.
What is the InChIKey of methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate?
The InChIKey is CRADCIKJZPECDC-ROPPNANJSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-14(2)31-21-12-9-16(13-19(21)25)22-27-23(32-28-22)15-7-10-17(11-8-15)26-20-6-4-5-18(20)24(29)30-3/h7-14,18,20,26H,4-6H2,1-3H3/t18?,20-/m1/s1.
What are the key properties of methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate?
methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate has a molecular weight of 455.94 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate is sourced from PubChem (CID 67234551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).