7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide

C18H28N4O2 — CID 167885380

IUPAC7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide
SMILESCN1CCC2(CC1)CCN2C(=O)Nc1cc(C2(C)CCCC2)on1
InChIInChI=1S/C18H28N4O2/c1-17(5-3-4-6-17)14-13-15(20-24-14)19-16(23)22-12-9-18(22)7-10-21(2)11-8-18/h13H,3-12H2,1-2H3,(H,19,20,23)
InChIKeyQSKOVVDTXQJRMO-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.21
Rot. Bonds2

About 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide

7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide (PubChem CID 167885380) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide
PubChem CID167885380
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide
SMILESCN1CCC2(CC1)CCN2C(=O)Nc1cc(C2(C)CCCC2)on1
InChIInChI=1S/C18H28N4O2/c1-17(5-3-4-6-17)14-13-15(20-24-14)19-16(23)22-12-9-18(22)7-10-21(2)11-8-18/h13H,3-12H2,1-2H3,(H,19,20,23)
InChIKeyQSKOVVDTXQJRMO-UHFFFAOYSA-N
XLogP3.21
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The IUPAC name of 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide (CID 167885380) is 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide.
What is the SMILES notation for 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The canonical SMILES for 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide is CN1CCC2(CC1)CCN2C(=O)Nc1cc(C2(C)CCCC2)on1.
What is the InChIKey of 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide?
The InChIKey is QSKOVVDTXQJRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-17(5-3-4-6-17)14-13-15(20-24-14)19-16(23)22-12-9-18(22)7-10-21(2)11-8-18/h13H,3-12H2,1-2H3,(H,19,20,23).
What are the key properties of 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide?
7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide is sourced from PubChem (CID 167885380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).