tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate

C18H19N5O4S — CID 176858484

About tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate

tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate (PubChem CID 176858484) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate
• PubChem CID: 176858484
• Molecular Formula: C18H19N5O4S
• Molecular Weight: 401.45 g/mol
• Exact Mass: 401.12
• IUPAC Name: tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate
• SMILES: CN(C(=O)OC(C)(C)C)c1ncc(C(=O)Nc2nc(-c3ccccn3)cs2)o1
• InChI: InChI=1S/C18H19N5O4S/c1-18(2,3)27-17(25)23(4)16-20-9-13(26-16)14(24)22-15-21-12(10-28-15)11-7-5-6-8-19-11/h5-10H,1-4H3,(H,21,22,24)
• InChIKey: UMRUJKOEFSLOOU-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 110.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.45
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate?

The IUPAC name of tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate (CID 176858484) is tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate?

The canonical SMILES for tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate is CN(C(=O)OC(C)(C)C)c1ncc(C(=O)Nc2nc(-c3ccccn3)cs2)o1.

What is the InChIKey of tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate?

The InChIKey is UMRUJKOEFSLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-18(2,3)27-17(25)23(4)16-20-9-13(26-16)14(24)22-15-21-12(10-28-15)11-7-5-6-8-19-11/h5-10H,1-4H3,(H,21,22,24).

What are the key properties of tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate?

tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate has a molecular weight of 401.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]-1,3-oxazol-2-yl]carbamate is sourced from PubChem (CID 176858484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).