[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C17H22N4O3 — CID 97110759

IUPAC[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCC[C@]4(CCOC4)C3)no2)cnn1C
InChIInChI=1S/C17H22N4O3/c1-12-13(9-18-20(12)2)15-8-14(19-24-15)16(22)21-6-3-4-17(10-21)5-7-23-11-17/h8-9H,3-7,10-11H2,1-2H3/t17-/m0/s1
InChIKeyOQFNPICJCOORDJ-KRWDZBQOSA-N
MW330.39 g/mol
LogP2.03
Rot. Bonds2

About [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97110759) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID97110759
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCC[C@]4(CCOC4)C3)no2)cnn1C
InChIInChI=1S/C17H22N4O3/c1-12-13(9-18-20(12)2)15-8-14(19-24-15)16(22)21-6-3-4-17(10-21)5-7-23-11-17/h8-9H,3-7,10-11H2,1-2H3/t17-/m0/s1
InChIKeyOQFNPICJCOORDJ-KRWDZBQOSA-N
XLogP2.03
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97110759) is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cc1c(-c2cc(C(=O)N3CCC[C@]4(CCOC4)C3)no2)cnn1C.
What is the InChIKey of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is OQFNPICJCOORDJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-13(9-18-20(12)2)15-8-14(19-24-15)16(22)21-6-3-4-17(10-21)5-7-23-11-17/h8-9H,3-7,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97110759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).