(3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C17H21N5O4 — CID 97398265

About (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

(3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 97398265) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
• PubChem CID: 97398265
• Molecular Formula: C17H21N5O4
• Molecular Weight: 359.39 g/mol
• Exact Mass: 359.16
• IUPAC Name: (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
• SMILES: Cc1nocc1C(=O)N1CCO[C@]2(COCCN(c3ncccn3)C2)C1
• InChI: InChI=1S/C17H21N5O4/c1-13-14(9-26-20-13)15(23)21-6-8-25-17(10-21)11-22(5-7-24-12-17)16-18-3-2-4-19-16/h2-4,9H,5-8,10-12H2,1H3/t17-/m1/s1
• InChIKey: ZTZNIGFXCRSNAU-QGZVFWFLSA-N
• XLogP: 0.52
• TPSA: 93.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.39
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The IUPAC name of (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 97398265) is (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

What is the SMILES notation for (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The canonical SMILES for (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is Cc1nocc1C(=O)N1CCO[C@]2(COCCN(c3ncccn3)C2)C1.

What is the InChIKey of (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The InChIKey is ZTZNIGFXCRSNAU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-13-14(9-26-20-13)15(23)21-6-8-25-17(10-21)11-22(5-7-24-12-17)16-18-3-2-4-19-16/h2-4,9H,5-8,10-12H2,1H3/t17-/m1/s1.

What are the key properties of (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

(3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 359.39 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 97398265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).