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

C17H19N3O3 — CID 22350567

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
SMILESCOc1cccc(-c2cnc(C(=O)NC3CC4CC3CN4)o2)c1
InChIInChI=1S/C17H19N3O3/c1-22-13-4-2-3-10(6-13)15-9-19-17(23-15)16(21)20-14-7-12-5-11(14)8-18-12/h2-4,6,9,11-12,14,18H,5,7-8H2,1H3,(H,20,21)
InChIKeyQKSTZBSZCVZALG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.83
Rot. Bonds4

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

N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide (PubChem CID 22350567) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
PubChem CID22350567
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
SMILESCOc1cccc(-c2cnc(C(=O)NC3CC4CC3CN4)o2)c1
InChIInChI=1S/C17H19N3O3/c1-22-13-4-2-3-10(6-13)15-9-19-17(23-15)16(21)20-14-7-12-5-11(14)8-18-12/h2-4,6,9,11-12,14,18H,5,7-8H2,1H3,(H,20,21)
InChIKeyQKSTZBSZCVZALG-UHFFFAOYSA-N
XLogP1.83
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 165119935
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535363
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 22350701
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 22591334
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141
5-(4-acetamidophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
CID 22350832
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3,5-difluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535009
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133245079
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-ethyl-1-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181244
N-(1-cyanopyrrolidin-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide;methoxymethane
CID 156881467

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide (CID 22350567) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide is COc1cccc(-c2cnc(C(=O)NC3CC4CC3CN4)o2)c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is QKSTZBSZCVZALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-13-4-2-3-10(6-13)15-9-19-17(23-15)16(21)20-14-7-12-5-11(14)8-18-12/h2-4,6,9,11-12,14,18H,5,7-8H2,1H3,(H,20,21).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22350567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).