1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C17H21N5O3 — CID 118741035

IUPAC1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2cnn(C)c2)C12CCN(C(=O)c1ccno1)CC2
InChIInChI=1S/C17H21N5O3/c1-20-11-12(10-18-20)13-9-15(23)21(2)17(13)4-7-22(8-5-17)16(24)14-3-6-19-25-14/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeySVERJNUZVTULTK-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.03
Rot. Bonds2

About 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118741035) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118741035
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2cnn(C)c2)C12CCN(C(=O)c1ccno1)CC2
InChIInChI=1S/C17H21N5O3/c1-20-11-12(10-18-20)13-9-15(23)21(2)17(13)4-7-22(8-5-17)16(24)14-3-6-19-25-14/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeySVERJNUZVTULTK-UHFFFAOYSA-N
XLogP1.03
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 118741035) is 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2cnn(C)c2)C12CCN(C(=O)c1ccno1)CC2.
What is the InChIKey of 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SVERJNUZVTULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-20-11-12(10-18-20)13-9-15(23)21(2)17(13)4-7-22(8-5-17)16(24)14-3-6-19-25-14/h3,6,10-11,13H,4-5,7-9H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 343.39 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylpyrazol-4-yl)-8-(1,2-oxazole-5-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118741035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).