tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate

C23H28N4O5 — CID 97247580

About tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate

tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate (PubChem CID 97247580) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate
• PubChem CID: 97247580
• Molecular Formula: C23H28N4O5
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.21
• IUPAC Name: tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate
• SMILES: Cc1noc(COCC(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)n1
• InChI: InChI=1S/C23H28N4O5/c1-15-25-21(32-27-15)14-30-13-20(28)26-19(12-24-22(29)31-23(2,3)4)18-10-9-16-7-5-6-8-17(16)11-18/h5-11,19H,12-14H2,1-4H3,(H,24,29)(H,26,28)/t19-/m1/s1
• InChIKey: LMHDZXFUJSGWPI-LJQANCHMSA-N
• XLogP: 3.43
• TPSA: 115.58 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	440.50
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate (CID 97247580) is tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate is Cc1noc(COCC(=O)N[C@H](CNC(=O)OC(C)(C)C)c2ccc3ccccc3c2)n1.

What is the InChIKey of tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate?

The InChIKey is LMHDZXFUJSGWPI-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-15-25-21(32-27-15)14-30-13-20(28)26-19(12-24-22(29)31-23(2,3)4)18-10-9-16-7-5-6-8-17(16)11-18/h5-11,19H,12-14H2,1-4H3,(H,24,29)(H,26,28)/t19-/m1/s1.

What are the key properties of tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate?

tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate has a molecular weight of 440.50 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]-2-naphthalen-2-ylethyl]carbamate is sourced from PubChem (CID 97247580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).