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

C16H16FN3O2 — CID 18535363

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H16FN3O2/c17-10-3-1-2-9(6-10)14-8-18-16(22-14)15(21)20-13-7-11-4-5-12(13)19-11/h1-3,6,8,11-13,19H,4-5,7H2,(H,20,21)
InChIKeyPGVXODQCHXJWCH-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.10
Rot. Bonds3

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

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide (PubChem CID 18535363) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
PubChem CID18535363
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H16FN3O2/c17-10-3-1-2-9(6-10)14-8-18-16(22-14)15(21)20-13-7-11-4-5-12(13)19-11/h1-3,6,8,11-13,19H,4-5,7H2,(H,20,21)
InChIKeyPGVXODQCHXJWCH-UHFFFAOYSA-N
XLogP2.10
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 18535414
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(3-fluorophenyl)pyrazole-1-carboxamide
CID 90945287
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
CID 18535376
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide
CID 18535229
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 70026122
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-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18535759
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-3-ylfuran-2-carboxamide
CID 70027681
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide
CID 70025706
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-dichlorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 18535024

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide (CID 18535363) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide is O=C(NC1CC2CCC1N2)c1ncc(-c2cccc(F)c2)o1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is PGVXODQCHXJWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-10-3-1-2-9(6-10)14-8-18-16(22-14)15(21)20-13-7-11-4-5-12(13)19-11/h1-3,6,8,11-13,19H,4-5,7H2,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18535363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).