2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H21N3O4S — CID 94642953

About 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 94642953) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 94642953
• Molecular Formula: C17H21N3O4S
• Molecular Weight: 363.44 g/mol
• Exact Mass: 363.13
• IUPAC Name: 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)CSCC(=O)N(C2CC2)[C@H](C)c2ccco2)no1
• InChI: InChI=1S/C17H21N3O4S/c1-11-8-15(19-24-11)18-16(21)9-25-10-17(22)20(13-5-6-13)12(2)14-4-3-7-23-14/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3,(H,18,19,21)/t12-/m1/s1
• InChIKey: LHBNCVYBKXFBHC-GFCCVEGCSA-N
• XLogP: 3.00
• TPSA: 88.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.44
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 94642953) is 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSCC(=O)N(C2CC2)[C@H](C)c2ccco2)no1.

What is the InChIKey of 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is LHBNCVYBKXFBHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-11-8-15(19-24-11)18-16(21)9-25-10-17(22)20(13-5-6-13)12(2)14-4-3-7-23-14/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3,(H,18,19,21)/t12-/m1/s1.

What are the key properties of 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 94642953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).