N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide

C16H15F2N3O2S — CID 18535414

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(Sc2ccc(F)cc2F)o1
InChIInChI=1S/C16H15F2N3O2S/c17-8-1-4-13(10(18)5-8)24-14-7-19-16(23-14)15(22)21-12-6-9-2-3-11(12)20-9/h1,4-5,7,9,11-12,20H,2-3,6H2,(H,21,22)
InChIKeyAFFXNPRKONACJE-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.73
Rot. Bonds4

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide (PubChem CID 18535414) has the molecular formula C16H15F2N3O2S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
PubChem CID18535414
Molecular FormulaC16H15F2N3O2S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(Sc2ccc(F)cc2F)o1
InChIInChI=1S/C16H15F2N3O2S/c17-8-1-4-13(10(18)5-8)24-14-7-19-16(23-14)15(22)21-12-6-9-2-3-11(12)20-9/h1,4-5,7,9,11-12,20H,2-3,6H2,(H,21,22)
InChIKeyAFFXNPRKONACJE-UHFFFAOYSA-N
XLogP2.73
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-dichlorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 18535024
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-chlorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 70027763
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535363
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3,5-difluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535009
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide
CID 18535138
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 18535011
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide
CID 22243232
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide
CID 70026070
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-fluoropyridine-2-carboxamide
CID 23598718
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 18534925
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide
CID 18535229
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-fluorophenoxy)-1,3-thiazole-2-carboxamide
CID 18535616

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide (CID 18535414) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide is O=C(NC1CC2CCC1N2)c1ncc(Sc2ccc(F)cc2F)o1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide?
The InChIKey is AFFXNPRKONACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S/c17-8-1-4-13(10(18)5-8)24-14-7-19-16(23-14)15(22)21-12-6-9-2-3-11(12)20-9/h1,4-5,7,9,11-12,20H,2-3,6H2,(H,21,22).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18535414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).