(1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

C23H24N4O5 — CID 154578594

About (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide

(1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 154578594) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
• PubChem CID: 154578594
• Molecular Formula: C23H24N4O5
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.17
• IUPAC Name: (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide
• SMILES: COc1ccc(OCC(=O)N[C@H]2C[C@H](C(N)=O)C[C@H]2c2nc(-c3ccccc3)no2)cc1
• InChI: InChI=1S/C23H24N4O5/c1-30-16-7-9-17(10-8-16)31-13-20(28)25-19-12-15(21(24)29)11-18(19)23-26-22(27-32-23)14-5-3-2-4-6-14/h2-10,15,18-19H,11-13H2,1H3,(H2,24,29)(H,25,28)/t15-,18-,19+/m1/s1
• InChIKey: DMXNCTFAPIMKQW-LZQZEXGQSA-N
• XLogP: 2.29
• TPSA: 129.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?

The IUPAC name of (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide (CID 154578594) is (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide.

What is the SMILES notation for (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?

The canonical SMILES for (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide is COc1ccc(OCC(=O)N[C@H]2C[C@H](C(N)=O)C[C@H]2c2nc(-c3ccccc3)no2)cc1.

What is the InChIKey of (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?

The InChIKey is DMXNCTFAPIMKQW-LZQZEXGQSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-16-7-9-17(10-8-16)31-13-20(28)25-19-12-15(21(24)29)11-18(19)23-26-22(27-32-23)14-5-3-2-4-6-14/h2-10,15,18-19H,11-13H2,1H3,(H2,24,29)(H,25,28)/t15-,18-,19+/m1/s1.

What are the key properties of (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide?

(1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3S,4R)-3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 154578594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).