N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide

C14H15N3O2 — CID 22591329

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1ccc2ncoc2c1
InChIInChI=1S/C14H15N3O2/c18-14(16-12-7-17-4-3-10(12)6-17)9-1-2-11-13(5-9)19-8-15-11/h1-2,5,8,10,12H,3-4,6-7H2,(H,16,18)
InChIKeyWGGFAQSLMDVDDA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.26
Rot. Bonds2

About N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide

N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide (PubChem CID 22591329) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide
PubChem CID22591329
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1ccc2ncoc2c1
InChIInChI=1S/C14H15N3O2/c18-14(16-12-7-17-4-3-10(12)6-17)9-1-2-11-13(5-9)19-8-15-11/h1-2,5,8,10,12H,3-4,6-7H2,(H,16,18)
InChIKeyWGGFAQSLMDVDDA-UHFFFAOYSA-N
XLogP1.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 23529176
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-(13C)carboxamide
CID 10107236
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481780
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
CID 58932940
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide;(E)-but-2-enoic acid
CID 91116087
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1-benzofuran-6-carboxamide
CID 10356529

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide (CID 22591329) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide is O=C(NC1CN2CCC1C2)c1ccc2ncoc2c1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is WGGFAQSLMDVDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(16-12-7-17-4-3-10(12)6-17)9-1-2-11-13(5-9)19-8-15-11/h1-2,5,8,10,12H,3-4,6-7H2,(H,16,18).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 22591329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).