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

C14H19F2N3O2 — CID 164636698

IUPACN-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCC[C@H]1CCC(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)/t10-/m1/s1
InChIKeyUMMDWJROOXASRI-SNVBAGLBSA-N
MW299.32 g/mol
LogP2.22
Rot. Bonds4

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

N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 164636698) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID164636698
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCC[C@H]1CCC(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)/t10-/m1/s1
InChIKeyUMMDWJROOXASRI-SNVBAGLBSA-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-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 164636698) is N-[2-[(1R)-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-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCC[C@H]1CCC(F)(F)C1)c1cnn2c1OCCC2.
What is the InChIKey of N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is UMMDWJROOXASRI-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of N-[2-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[2-[(1R)-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-[(1R)-3,3-difluorocyclopentyl]ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 164636698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).