N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

C16H25N5O3 — CID 162636032

IUPACN-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN2CCCC23CCCN(C(C)C)C3=O)n1
InChIInChI=1S/C16H25N5O3/c1-11(2)21-9-5-7-16(15(21)23)6-4-8-20(16)10-12-18-13(19-24-12)14(22)17-3/h11H,4-10H2,1-3H3,(H,17,22)
InChIKeySMHSYOJORRTZQN-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.79
Rot. Bonds4

About N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 162636032) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID162636032
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN2CCCC23CCCN(C(C)C)C3=O)n1
InChIInChI=1S/C16H25N5O3/c1-11(2)21-9-5-7-16(15(21)23)6-4-8-20(16)10-12-18-13(19-24-12)14(22)17-3/h11H,4-10H2,1-3H3,(H,17,22)
InChIKeySMHSYOJORRTZQN-UHFFFAOYSA-N
XLogP0.79
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 162636032) is N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CN2CCCC23CCCN(C(C)C)C3=O)n1.
What is the InChIKey of N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SMHSYOJORRTZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11(2)21-9-5-7-16(15(21)23)6-4-8-20(16)10-12-18-13(19-24-12)14(22)17-3/h11H,4-10H2,1-3H3,(H,17,22).
What are the key properties of N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 162636032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).