4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide

C21H26N4O3 — CID 122694001

IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide
SMILESCc1nc(-c2ccc(C(=O)NC3(CN4CCC5(CC4)COC5)CC3)cc2)no1
InChIInChI=1S/C21H26N4O3/c1-15-22-18(24-28-15)16-2-4-17(5-3-16)19(26)23-21(6-7-21)12-25-10-8-20(9-11-25)13-27-14-20/h2-5H,6-14H2,1H3,(H,23,26)
InChIKeyRXRQAYGXPXHYHY-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.42
Rot. Bonds5

About 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide

4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide (PubChem CID 122694001) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide
PubChem CID122694001
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide
SMILESCc1nc(-c2ccc(C(=O)NC3(CN4CCC5(CC4)COC5)CC3)cc2)no1
InChIInChI=1S/C21H26N4O3/c1-15-22-18(24-28-15)16-2-4-17(5-3-16)19(26)23-21(6-7-21)12-25-10-8-20(9-11-25)13-27-14-20/h2-5H,6-14H2,1H3,(H,23,26)
InChIKeyRXRQAYGXPXHYHY-UHFFFAOYSA-N
XLogP2.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide?
The IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide (CID 122694001) is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide?
The canonical SMILES for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide is Cc1nc(-c2ccc(C(=O)NC3(CN4CCC5(CC4)COC5)CC3)cc2)no1.
What is the InChIKey of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide?
The InChIKey is RXRQAYGXPXHYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-22-18(24-28-15)16-2-4-17(5-3-16)19(26)23-21(6-7-21)12-25-10-8-20(9-11-25)13-27-14-20/h2-5H,6-14H2,1H3,(H,23,26).
What are the key properties of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide?
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(2-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)cyclopropyl]benzamide is sourced from PubChem (CID 122694001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).