(7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C19H26N4O4 — CID 124801885

About (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

(7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 124801885) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 124801885
• Molecular Formula: C19H26N4O4
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.20
• IUPAC Name: (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C4CC4)on3)C2)CN1CC1CC1
• InChI: InChI=1S/C19H26N4O4/c1-20-17(24)15-8-26-19(9-22(15)7-12-2-3-12)10-23(11-19)18(25)14-6-16(27-21-14)13-4-5-13/h6,12-13,15H,2-5,7-11H2,1H3,(H,20,24)/t15-/m0/s1
• InChIKey: MTAXFXGNIYCBAY-HNNXBMFYSA-N
• XLogP: 0.60
• TPSA: 87.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 124801885) is (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)[C@@H]1COC2(CN(C(=O)c3cc(C4CC4)on3)C2)CN1CC1CC1.

What is the InChIKey of (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is MTAXFXGNIYCBAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-20-17(24)15-8-26-19(9-22(15)7-12-2-3-12)10-23(11-19)18(25)14-6-16(27-21-14)13-4-5-13/h6,12-13,15H,2-5,7-11H2,1H3,(H,20,24)/t15-/m0/s1.

What are the key properties of (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

(7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 124801885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).