tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate

C22H26N6O4 — CID 168949225

About tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate

tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate (PubChem CID 168949225) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate
• PubChem CID: 168949225
• Molecular Formula: C22H26N6O4
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.20
• IUPAC Name: tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate
• SMILES: Cc1nc(-c2onc(C)c2Nc2cncc(OC3CC3)n2)ccc1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C22H26N6O4/c1-12-15(25-21(29)31-22(3,4)5)8-9-16(24-12)20-19(13(2)28-32-20)27-17-10-23-11-18(26-17)30-14-6-7-14/h8-11,14H,6-7H2,1-5H3,(H,25,29)(H,26,27)
• InChIKey: OIKJKGDQDWIDOL-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 124.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate?

The IUPAC name of tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate (CID 168949225) is tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate.

What is the SMILES notation for tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate?

The canonical SMILES for tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate is Cc1nc(-c2onc(C)c2Nc2cncc(OC3CC3)n2)ccc1NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate?

The InChIKey is OIKJKGDQDWIDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-12-15(25-21(29)31-22(3,4)5)8-9-16(24-12)20-19(13(2)28-32-20)27-17-10-23-11-18(26-17)30-14-6-7-14/h8-11,14H,6-7H2,1-5H3,(H,25,29)(H,26,27).

What are the key properties of tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate?

tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate has a molecular weight of 438.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 168949225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).