6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C20H21ClN4O5 — CID 163338632

About 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 163338632) has the molecular formula C20H21ClN4O5 and a molecular weight of 432.86 g/mol. Its IUPAC name is 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
• PubChem CID: 163338632
• Molecular Formula: C20H21ClN4O5
• Molecular Weight: 432.86 g/mol
• Exact Mass: 432.12
• IUPAC Name: 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
• SMILES: O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCCC(OCc2nc(C3CC3)no2)C1
• InChI: InChI=1S/C20H21ClN4O5/c21-13-5-6-15-16(8-13)29-20(27)25(15)10-18(26)24-7-1-2-14(9-24)28-11-17-22-19(23-30-17)12-3-4-12/h5-6,8,12,14H,1-4,7,9-11H2
• InChIKey: HKXDIIZRGBTUQR-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 103.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.86
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?

The IUPAC name of 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 163338632) is 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

What is the SMILES notation for 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?

The canonical SMILES for 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCCC(OCc2nc(C3CC3)no2)C1.

What is the InChIKey of 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?

The InChIKey is HKXDIIZRGBTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O5/c21-13-5-6-15-16(8-13)29-20(27)25(15)10-18(26)24-7-1-2-14(9-24)28-11-17-22-19(23-30-17)12-3-4-12/h5-6,8,12,14H,1-4,7,9-11H2.

What are the key properties of 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?

6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 432.86 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[2-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 163338632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).