2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C18H21ClN2O5S — CID 8986686

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 8986686) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
• PubChem CID: 8986686
• Molecular Formula: C18H21ClN2O5S
• Molecular Weight: 412.90 g/mol
• Exact Mass: 412.09
• IUPAC Name: 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
• SMILES: O=C(Cn1c(=O)oc2cc(Cl)ccc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C18H21ClN2O5S/c19-12-5-6-15-16(9-12)26-18(23)20(15)10-17(22)21(13-3-1-2-4-13)14-7-8-27(24,25)11-14/h5-6,9,13-14H,1-4,7-8,10-11H2/t14-/m0/s1
• InChIKey: CPJARYYGLPGDCV-AWEZNQCLSA-N
• XLogP: 2.21
• TPSA: 89.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.90
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?

The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 8986686) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?

The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1.

What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?

The InChIKey is CPJARYYGLPGDCV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c19-12-5-6-15-16(9-12)26-18(23)20(15)10-17(22)21(13-3-1-2-4-13)14-7-8-27(24,25)11-14/h5-6,9,13-14H,1-4,7-8,10-11H2/t14-/m0/s1.

What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 412.90 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 8986686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).