benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate

C24H21N5O4 — CID 90562603

About benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate

benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate (PubChem CID 90562603) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate
• PubChem CID: 90562603
• Molecular Formula: C24H21N5O4
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.16
• IUPAC Name: benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate
• SMILES: O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1
• InChI: InChI=1S/C24H21N5O4/c30-21(15-26-24(31)32-16-17-7-2-1-3-8-17)27-20-11-5-4-9-18(20)13-22-28-23(29-33-22)19-10-6-12-25-14-19/h1-12,14H,13,15-16H2,(H,26,31)(H,27,30)
• InChIKey: NUDYBWZAPVTIHX-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 119.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate?

The IUPAC name of benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate (CID 90562603) is benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate.

What is the SMILES notation for benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate?

The canonical SMILES for benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1.

What is the InChIKey of benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate?

The InChIKey is NUDYBWZAPVTIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c30-21(15-26-24(31)32-16-17-7-2-1-3-8-17)27-20-11-5-4-9-18(20)13-22-28-23(29-33-22)19-10-6-12-25-14-19/h1-12,14H,13,15-16H2,(H,26,31)(H,27,30).

What are the key properties of benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate?

benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate has a molecular weight of 443.46 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate is sourced from PubChem (CID 90562603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).