N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide

C16H15F2N5O2 — CID 139018596

IUPACN-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide
SMILESO=C(Nc1nn(CC(F)F)c2ccccc12)c1cnc2n1CCOC2
InChIInChI=1S/C16H15F2N5O2/c17-13(18)8-23-11-4-2-1-3-10(11)15(21-23)20-16(24)12-7-19-14-9-25-6-5-22(12)14/h1-4,7,13H,5-6,8-9H2,(H,20,21,24)
InChIKeyKLOOECTZKHFZHG-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide

N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide (PubChem CID 139018596) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.32 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide
PubChem CID139018596
Molecular FormulaC16H15F2N5O2
Molecular Weight347.32 g/mol
Exact Mass347.12
IUPAC NameN-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide
SMILESO=C(Nc1nn(CC(F)F)c2ccccc12)c1cnc2n1CCOC2
InChIInChI=1S/C16H15F2N5O2/c17-13(18)8-23-11-4-2-1-3-10(11)15(21-23)20-16(24)12-7-19-14-9-25-6-5-22(12)14/h1-4,7,13H,5-6,8-9H2,(H,20,21,24)
InChIKeyKLOOECTZKHFZHG-UHFFFAOYSA-N
XLogP2.28
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide (CID 139018596) is N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide is O=C(Nc1nn(CC(F)F)c2ccccc12)c1cnc2n1CCOC2.
What is the InChIKey of N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is KLOOECTZKHFZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c17-13(18)8-23-11-4-2-1-3-10(11)15(21-23)20-16(24)12-7-19-14-9-25-6-5-22(12)14/h1-4,7,13H,5-6,8-9H2,(H,20,21,24).
What are the key properties of N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide?
N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 347.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)indazol-3-yl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 139018596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).