(2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide

C17H23N5O2S — CID 129343673

About (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide

(2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 129343673) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide
• PubChem CID: 129343673
• Molecular Formula: C17H23N5O2S
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.16
• IUPAC Name: (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide
• SMILES: Cc1conc1NC(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1
• InChI: InChI=1S/C17H23N5O2S/c1-12-11-24-20-15(12)19-16(23)22-6-3-17(4-7-22)9-13(17)21(2)10-14-18-5-8-25-14/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H,19,20,23)/t13-/m1/s1
• InChIKey: XFARBLDZYSDSTC-CYBMUJFWSA-N
• XLogP: 2.96
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide?

The IUPAC name of (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide (CID 129343673) is (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide.

What is the SMILES notation for (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide?

The canonical SMILES for (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide is Cc1conc1NC(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1.

What is the InChIKey of (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide?

The InChIKey is XFARBLDZYSDSTC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-11-24-20-15(12)19-16(23)22-6-3-17(4-7-22)9-13(17)21(2)10-14-18-5-8-25-14/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3,(H,19,20,23)/t13-/m1/s1.

What are the key properties of (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide?

(2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 129343673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).