(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

C16H19N5O3 — CID 97399123

IUPAC(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1oncc1C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1
InChIInChI=1S/C16H19N5O3/c1-11-13(7-18-24-11)15(23)20-4-3-16(9-20)5-14(22)21(10-16)12-6-17-19(2)8-12/h6-8H,3-5,9-10H2,1-2H3/t16-/m0/s1
InChIKeyHLFLMHJOLMAFAN-INIZCTEOSA-N
MW329.36 g/mol
LogP0.99
Rot. Bonds2

About (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97399123) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97399123
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1oncc1C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1
InChIInChI=1S/C16H19N5O3/c1-11-13(7-18-24-11)15(23)20-4-3-16(9-20)5-14(22)21(10-16)12-6-17-19(2)8-12/h6-8H,3-5,9-10H2,1-2H3/t16-/m0/s1
InChIKeyHLFLMHJOLMAFAN-INIZCTEOSA-N
XLogP0.99
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131690695
2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896118
9-(5-methyl-1,2-oxazole-4-carbonyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451098
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
7-(furan-2-ylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131640237
[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 134080134
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 133115078
8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449934
(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 97374104
1-ethyl-8-(5-methyl-1,2-oxazole-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 134073200
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97399123) is (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1oncc1C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1.
What is the InChIKey of (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is HLFLMHJOLMAFAN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-13(7-18-24-11)15(23)20-4-3-16(9-20)5-14(22)21(10-16)12-6-17-19(2)8-12/h6-8H,3-5,9-10H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 329.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97399123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).