N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C12H17N3O3 — CID 71789437

IUPACN-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn2c1OCCC2
InChIInChI=1S/C12H17N3O3/c16-11(13-7-9-3-1-5-17-9)10-8-14-15-4-2-6-18-12(10)15/h8-9H,1-7H2,(H,13,16)
InChIKeyJYMFZRVVWYTDND-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.57
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789437) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789437
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn2c1OCCC2
InChIInChI=1S/C12H17N3O3/c16-11(13-7-9-3-1-5-17-9)10-8-14-15-4-2-6-18-12(10)15/h8-9H,1-7H2,(H,13,16)
InChIKeyJYMFZRVVWYTDND-UHFFFAOYSA-N
XLogP0.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789437) is N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCC1CCCO1)c1cnn2c1OCCC2.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is JYMFZRVVWYTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11(13-7-9-3-1-5-17-9)10-8-14-15-4-2-6-18-12(10)15/h8-9H,1-7H2,(H,13,16).
What are the key properties of N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).