tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate

C16H24N4O4 — CID 71789500

IUPACtert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1
InChIInChI=1S/C16H24N4O4/c1-16(2,3)24-15(22)19-8-6-18(7-9-19)13(21)12-11-17-20-5-4-10-23-14(12)20/h11H,4-10H2,1-3H3
InChIKeyQQFXQIGJTZBXKL-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.36
Rot. Bonds1

About tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 71789500) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
PubChem CID71789500
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nametert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1
InChIInChI=1S/C16H24N4O4/c1-16(2,3)24-15(22)19-8-6-18(7-9-19)13(21)12-11-17-20-5-4-10-23-14(12)20/h11H,4-10H2,1-3H3
InChIKeyQQFXQIGJTZBXKL-UHFFFAOYSA-N
XLogP1.36
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate (CID 71789500) is tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1.
What is the InChIKey of tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is QQFXQIGJTZBXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-16(2,3)24-15(22)19-8-6-18(7-9-19)13(21)12-11-17-20-5-4-10-23-14(12)20/h11H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 71789500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).