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

C16H16ClN3O3 — CID 18535229

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(Oc2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClN3O3/c17-9-2-1-3-11(6-9)22-14-8-18-16(23-14)15(21)20-13-7-10-4-5-12(13)19-10/h1-3,6,8,10,12-13,19H,4-5,7H2,(H,20,21)
InChIKeyJGSTYJGNISRLJX-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.74
Rot. Bonds4

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

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide (PubChem CID 18535229) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide
PubChem CID18535229
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(Oc2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClN3O3/c17-9-2-1-3-11(6-9)22-14-8-18-16(23-14)15(21)20-13-7-10-4-5-12(13)19-10/h1-3,6,8,10,12-13,19H,4-5,7H2,(H,20,21)
InChIKeyJGSTYJGNISRLJX-UHFFFAOYSA-N
XLogP2.74
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
CID 18181716
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-(3-chlorophenyl)furan-2-carboxamide
CID 70026122
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-[(2-methoxy-1,3-oxazol-5-yl)oxy]benzamide
CID 85054455
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-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535101
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 10109523
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-chloro-3-pyridinyl)furan-2-carboxamide
CID 18535263
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide
CID 22243232
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3,5-difluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535009
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-fluorophenoxy)-1,3-oxazole-2-carboxamide
CID 70025865

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide (CID 18535229) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide is O=C(NC1CC2CCC1N2)c1ncc(Oc2cccc(Cl)c2)o1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide?
The InChIKey is JGSTYJGNISRLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-9-2-1-3-11(6-9)22-14-8-18-16(23-14)15(21)20-13-7-10-4-5-12(13)19-10/h1-3,6,8,10,12-13,19H,4-5,7H2,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 2.74, 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-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18535229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).