5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine

C44H42F14N10O8 — CID 172962619

IUPAC5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine
SMILESCc1ccc(-c2noc(C3CCC(F)(F)CO3)n2)cc1NC(=O)c1cnc2ccccn12.Cc1ccc(/C(N)=N/O)cc1NC(=O)c1cnc2ccccn12.FF.FF.FF.FF.FF.O=C(O)C1CCC(F)(F)CO1
InChIInChI=1S/C22H19F2N5O3.C16H15N5O2.C6H8F2O3.5F2/c1-13-5-6-14(19-27-21(32-28-19)17-7-8-22(23,24)12-31-17)10-15(13)26-20(30)16-11-25-18-4-2-3-9-29(16)18;1-10-5-6-11(15(17)20-23)8-12(10)19-16(22)13-9-18-14-4-2-3-7-21(13)14;7-6(8)2-1-4(5(9)10)11-3-6;5*1-2/h2-6,9-11,17H,7-8,12H2,1H3,(H,26,30);2-9,23H,1H3,(H2,17,20)(H,19,22);4H,1-3H2,(H,9,10);;;;;
InChIKeyCDBZOLFQGWKCIW-UHFFFAOYSA-N
MW1104.85 g/mol
LogP11.51
Rot. Bonds8

About 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine

5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine (PubChem CID 172962619) has the molecular formula C44H42F14N10O8 and a molecular weight of 1104.85 g/mol. Its IUPAC name is 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine.

Molecular Properties

Compound Name5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine
PubChem CID172962619
Molecular FormulaC44H42F14N10O8
Molecular Weight1104.85 g/mol
Exact Mass1104.30
IUPAC Name5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine
SMILESCc1ccc(-c2noc(C3CCC(F)(F)CO3)n2)cc1NC(=O)c1cnc2ccccn12.Cc1ccc(/C(N)=N/O)cc1NC(=O)c1cnc2ccccn12.FF.FF.FF.FF.FF.O=C(O)C1CCC(F)(F)CO1
InChIInChI=1S/C22H19F2N5O3.C16H15N5O2.C6H8F2O3.5F2/c1-13-5-6-14(19-27-21(32-28-19)17-7-8-22(23,24)12-31-17)10-15(13)26-20(30)16-11-25-18-4-2-3-9-29(16)18;1-10-5-6-11(15(17)20-23)8-12(10)19-16(22)13-9-18-14-4-2-3-7-21(13)14;7-6(8)2-1-4(5(9)10)11-3-6;5*1-2/h2-6,9-11,17H,7-8,12H2,1H3,(H,26,30);2-9,23H,1H3,(H2,17,20)(H,19,22);4H,1-3H2,(H,9,10);;;;;
InChIKeyCDBZOLFQGWKCIW-UHFFFAOYSA-N
XLogP11.51
TPSA246.09 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.85
LogP ≤ 511.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine with MolForge

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Related Compounds

N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;N-[2-methyl-5-[5-(2-oxospiro[3.3]heptan-6-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine;2-oxospiro[3.3]heptane-6-carboxylic acid;hydrofluoride
CID 172971853
N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid
CID 172962600
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
(2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 172975026
N-[2-methyl-5-(5-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796698
methyl (2R)-2-[3-[3-(imidazo[1,2-a]pyridine-3-carbonylamino)-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 71289394
N-[2-methyl-5-[5-[(2R)-1-methylsulfonylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796777
N-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958
N-[2-methyl-5-[5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150587498
N-[2-methyl-5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280891
N-[2-methyl-5-[5-[3-(methylsulfanylamino)cyclobutyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144544788

Frequently Asked Questions

What is the IUPAC name of 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine?
The IUPAC name of 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine (CID 172962619) is 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine.
What is the SMILES notation for 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine?
The canonical SMILES for 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine is Cc1ccc(-c2noc(C3CCC(F)(F)CO3)n2)cc1NC(=O)c1cnc2ccccn12.Cc1ccc(/C(N)=N/O)cc1NC(=O)c1cnc2ccccn12.FF.FF.FF.FF.FF.O=C(O)C1CCC(F)(F)CO1.
What is the InChIKey of 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine?
The InChIKey is CDBZOLFQGWKCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O3.C16H15N5O2.C6H8F2O3.5F2/c1-13-5-6-14(19-27-21(32-28-19)17-7-8-22(23,24)12-31-17)10-15(13)26-20(30)16-11-25-18-4-2-3-9-29(16)18;1-10-5-6-11(15(17)20-23)8-12(10)19-16(22)13-9-18-14-4-2-3-7-21(13)14;7-6(8)2-1-4(5(9)10)11-3-6;5*1-2/h2-6,9-11,17H,7-8,12H2,1H3,(H,26,30);2-9,23H,1H3,(H2,17,20)(H,19,22);4H,1-3H2,(H,9,10);;;;;.
What are the key properties of 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine?
5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine has a molecular weight of 1104.85 g/mol, XLogP of 11.51, 8 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorooxane-2-carboxylic acid;N-[5-[5-(5,5-difluorooxan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;molecular fluorine is sourced from PubChem (CID 172962619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).