N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide

C19H24N4O3 — CID 52943305

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide
SMILESO=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(N3CCOCC3)nc12
InChIInChI=1S/C19H24N4O3/c24-18(20-15-12-22-6-4-13(15)5-7-22)14-2-1-3-16-17(14)21-19(26-16)23-8-10-25-11-9-23/h1-3,13,15H,4-12H2,(H,20,24)/t15-/m1/s1
InChIKeyORJWZBKFHYBQDC-OAHLLOKOSA-N
MW356.43 g/mol
LogP1.49
Rot. Bonds3

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide (PubChem CID 52943305) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide
PubChem CID52943305
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide
SMILESO=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(N3CCOCC3)nc12
InChIInChI=1S/C19H24N4O3/c24-18(20-15-12-22-6-4-13(15)5-7-22)14-2-1-3-16-17(14)21-19(26-16)23-8-10-25-11-9-23/h1-3,13,15H,4-12H2,(H,20,24)/t15-/m1/s1
InChIKeyORJWZBKFHYBQDC-OAHLLOKOSA-N
XLogP1.49
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide (CID 52943305) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide is O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(N3CCOCC3)nc12.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide?
The InChIKey is ORJWZBKFHYBQDC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18(20-15-12-22-6-4-13(15)5-7-22)14-2-1-3-16-17(14)21-19(26-16)23-8-10-25-11-9-23/h1-3,13,15H,4-12H2,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-morpholin-4-yl-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 52943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).