N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide

C22H20FN5O2S — CID 134277595

IUPACN-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2cc(F)ccc2n1C1CC2(CCNC2)C1)c1ccc(-c2cnco2)s1
InChIInChI=1S/C22H20FN5O2S/c23-13-1-2-16-15(7-13)26-21(28(16)14-8-22(9-14)5-6-24-11-22)27-20(29)19-4-3-18(31-19)17-10-25-12-30-17/h1-4,7,10,12,14,24H,5-6,8-9,11H2,(H,26,27,29)
InChIKeyYBELDWAUEYDSDN-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.46
Rot. Bonds4

About N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide

N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide (PubChem CID 134277595) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
PubChem CID134277595
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC NameN-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2cc(F)ccc2n1C1CC2(CCNC2)C1)c1ccc(-c2cnco2)s1
InChIInChI=1S/C22H20FN5O2S/c23-13-1-2-16-15(7-13)26-21(28(16)14-8-22(9-14)5-6-24-11-22)27-20(29)19-4-3-18(31-19)17-10-25-12-30-17/h1-4,7,10,12,14,24H,5-6,8-9,11H2,(H,26,27,29)
InChIKeyYBELDWAUEYDSDN-UHFFFAOYSA-N
XLogP4.46
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide (CID 134277595) is N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide is O=C(Nc1nc2cc(F)ccc2n1C1CC2(CCNC2)C1)c1ccc(-c2cnco2)s1.
What is the InChIKey of N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide?
The InChIKey is YBELDWAUEYDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c23-13-1-2-16-15(7-13)26-21(28(16)14-8-22(9-14)5-6-24-11-22)27-20(29)19-4-3-18(31-19)17-10-25-12-30-17/h1-4,7,10,12,14,24H,5-6,8-9,11H2,(H,26,27,29).
What are the key properties of N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide?
N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-azaspiro[3.4]octan-2-yl)-5-fluorobenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 134277595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).