azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone

C14H21N3O2 — CID 126816534

IUPACazocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCCCCCC1
InChIInChI=1S/C14H21N3O2/c18-13(16-7-4-2-1-3-5-8-16)12-11-15-17-9-6-10-19-14(12)17/h11H,1-10H2
InChIKeyCYCOYUUPAXSQFV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds1

About azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone

azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone (PubChem CID 126816534) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
PubChem CID126816534
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameazocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCCCCCC1
InChIInChI=1S/C14H21N3O2/c18-13(16-7-4-2-1-3-5-8-16)12-11-15-17-9-6-10-19-14(12)17/h11H,1-10H2
InChIKeyCYCOYUUPAXSQFV-UHFFFAOYSA-N
XLogP2.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
CID 84649596
6-Methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
CID 84652336
(3-methoxy-1-methyl-1H-pyrazol-4-yl)(4-methylpiperidin-1-yl)methanone
CID 16925246
N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789426
tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
CID 71789500
N-ethyl-1-methyl-3-(prop-2-yn-1-yloxy)-N-propyl-1H-pyrazole-4-carboxamide
CID 76334034
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
(3-ethoxy-1-ethyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 16925364
N-cyclohexyl-3-ethoxy-1-ethyl-1H-pyrazole-4-carboxamide
CID 16925381
(3-propoxy-1-propyl-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 16925481
(4-methylpiperazin-1-yl)(3-propoxy-1-propyl-1H-pyrazol-4-yl)methanone
CID 16925488

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The IUPAC name of azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone (CID 126816534) is azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone.
What is the SMILES notation for azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The canonical SMILES for azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone is O=C(c1cnn2c1OCCC2)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The InChIKey is CYCOYUUPAXSQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13(16-7-4-2-1-3-5-8-16)12-11-15-17-9-6-10-19-14(12)17/h11H,1-10H2.
What are the key properties of azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone is sourced from PubChem (CID 126816534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).