N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

C23H20N6O2 — CID 123613024

IUPACN-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1nc2ccccc2n1CCn1cc(NC(=O)c2ncoc2-c2ccccc2)cn1
InChIInChI=1S/C23H20N6O2/c1-16-26-19-9-5-6-10-20(19)29(16)12-11-28-14-18(13-25-28)27-23(30)21-22(31-15-24-21)17-7-3-2-4-8-17/h2-10,13-15H,11-12H2,1H3,(H,27,30)
InChIKeyGJCHMHQAWOABJL-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.15
Rot. Bonds6

About N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide

N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 123613024) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID123613024
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1nc2ccccc2n1CCn1cc(NC(=O)c2ncoc2-c2ccccc2)cn1
InChIInChI=1S/C23H20N6O2/c1-16-26-19-9-5-6-10-20(19)29(16)12-11-28-14-18(13-25-28)27-23(30)21-22(31-15-24-21)17-7-3-2-4-8-17/h2-10,13-15H,11-12H2,1H3,(H,27,30)
InChIKeyGJCHMHQAWOABJL-UHFFFAOYSA-N
XLogP4.15
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 123613024) is N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is Cc1nc2ccccc2n1CCn1cc(NC(=O)c2ncoc2-c2ccccc2)cn1.
What is the InChIKey of N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is GJCHMHQAWOABJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-16-26-19-9-5-6-10-20(19)29(16)12-11-28-14-18(13-25-28)27-23(30)21-22(31-15-24-21)17-7-3-2-4-8-17/h2-10,13-15H,11-12H2,1H3,(H,27,30).
What are the key properties of N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123613024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).