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

C24H25N5O2S — CID 158676604

IUPACN-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3ccc(-c4cnco4)s3)n(C3CC4(CCNC4)C3)c2c1
InChIInChI=1S/C24H25N5O2S/c1-2-15-3-4-17-18(9-15)29(16-10-24(11-16)7-8-25-13-24)23(27-17)28-22(30)21-6-5-20(32-21)19-12-26-14-31-19/h3-6,9,12,14,16,25H,2,7-8,10-11,13H2,1H3,(H,27,28,30)
InChIKeyLNXFTDLFCYGVKQ-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.88
Rot. Bonds5

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

N-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide (PubChem CID 158676604) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
PubChem CID158676604
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3ccc(-c4cnco4)s3)n(C3CC4(CCNC4)C3)c2c1
InChIInChI=1S/C24H25N5O2S/c1-2-15-3-4-17-18(9-15)29(16-10-24(11-16)7-8-25-13-24)23(27-17)28-22(30)21-6-5-20(32-21)19-12-26-14-31-19/h3-6,9,12,14,16,25H,2,7-8,10-11,13H2,1H3,(H,27,28,30)
InChIKeyLNXFTDLFCYGVKQ-UHFFFAOYSA-N
XLogP4.88
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.88
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)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide (CID 158676604) is N-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-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)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide is CCc1ccc2nc(NC(=O)c3ccc(-c4cnco4)s3)n(C3CC4(CCNC4)C3)c2c1.
What is the InChIKey of N-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide?
The InChIKey is LNXFTDLFCYGVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-2-15-3-4-17-18(9-15)29(16-10-24(11-16)7-8-25-13-24)23(27-17)28-22(30)21-6-5-20(32-21)19-12-26-14-31-19/h3-6,9,12,14,16,25H,2,7-8,10-11,13H2,1H3,(H,27,28,30).
What are the key properties of N-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide?
N-[1-(6-azaspiro[3.4]octan-2-yl)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.88, 5 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)-6-ethylbenzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 158676604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).