6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone

C16H19N3O3 — CID 136536338

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cc3n(n2)CCCO3)o1
InChIInChI=1S/C16H19N3O3/c1-11-5-6-14(22-11)13-4-2-7-18(13)16(20)12-10-15-19(17-12)8-3-9-21-15/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyXJZUOSMVMWIWCB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.54
Rot. Bonds2

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 136536338) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
PubChem CID136536338
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cc3n(n2)CCCO3)o1
InChIInChI=1S/C16H19N3O3/c1-11-5-6-14(22-11)13-4-2-7-18(13)16(20)12-10-15-19(17-12)8-3-9-21-15/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyXJZUOSMVMWIWCB-UHFFFAOYSA-N
XLogP2.54
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone (CID 136536338) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc(C2CCCN2C(=O)c2cc3n(n2)CCCO3)o1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XJZUOSMVMWIWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-5-6-14(22-11)13-4-2-7-18(13)16(20)12-10-15-19(17-12)8-3-9-21-15/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136536338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).