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

C14H19F2N3O2 — CID 136567606

IUPACN-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCCC1CCC(F)(F)C1)c1cnn2c1OCCC2
InChIInChI=1S/C14H19F2N3O2/c15-14(16)4-2-10(8-14)3-5-17-12(20)11-9-18-19-6-1-7-21-13(11)19/h9-10H,1-8H2,(H,17,20)
InChIKeyUMMDWJROOXASRI-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.22
Rot. Bonds4

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

N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 136567606) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID136567606
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCCC1CCC(F)(F)C1)c1cnn2c1OCCC2
InChIInChI=1S/C14H19F2N3O2/c15-14(16)4-2-10(8-14)3-5-17-12(20)11-9-18-19-6-1-7-21-13(11)19/h9-10H,1-8H2,(H,17,20)
InChIKeyUMMDWJROOXASRI-UHFFFAOYSA-N
XLogP2.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 136567606) is N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCCC1CCC(F)(F)C1)c1cnn2c1OCCC2.
What is the InChIKey of N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is UMMDWJROOXASRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c15-14(16)4-2-10(8-14)3-5-17-12(20)11-9-18-19-6-1-7-21-13(11)19/h9-10H,1-8H2,(H,17,20).
What are the key properties of N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorocyclopentyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 136567606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).