(5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C15H18N4O4 — CID 97396165

About (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97396165) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97396165
• Molecular Formula: C15H18N4O4
• Molecular Weight: 318.33 g/mol
• Exact Mass: 318.13
• IUPAC Name: (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: O=C(NCC1CC1)C1=NO[C@]2(CCN(C(=O)c3ccno3)C2)C1
• InChI: InChI=1S/C15H18N4O4/c20-13(16-8-10-1-2-10)11-7-15(23-18-11)4-6-19(9-15)14(21)12-3-5-17-22-12/h3,5,10H,1-2,4,6-9H2,(H,16,20)/t15-/m1/s1
• InChIKey: MOWFSONNSIALIM-OAHLLOKOSA-N
• XLogP: 0.56
• TPSA: 97.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.33
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97396165) is (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCC1CC1)C1=NO[C@]2(CCN(C(=O)c3ccno3)C2)C1.

What is the InChIKey of (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is MOWFSONNSIALIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-13(16-8-10-1-2-10)11-7-15(23-18-11)4-6-19(9-15)14(21)12-3-5-17-22-12/h3,5,10H,1-2,4,6-9H2,(H,16,20)/t15-/m1/s1.

What are the key properties of (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-(cyclopropylmethyl)-7-(1,2-oxazole-5-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97396165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).