N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

C26H23N5O2 — CID 51361477

IUPACN-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(c1nc2ccccc2[nH]1)N(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C26H23N5O2/c1-2-23(25-28-20-12-6-7-13-21(20)29-25)31(17-18-9-8-14-27-16-18)26(32)22-15-24(33-30-22)19-10-4-3-5-11-19/h3-16,23H,2,17H2,1H3,(H,28,29)
InChIKeyJGQILKLDYPWVHG-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.41
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 51361477) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID51361477
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(c1nc2ccccc2[nH]1)N(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C26H23N5O2/c1-2-23(25-28-20-12-6-7-13-21(20)29-25)31(17-18-9-8-14-27-16-18)26(32)22-15-24(33-30-22)19-10-4-3-5-11-19/h3-16,23H,2,17H2,1H3,(H,28,29)
InChIKeyJGQILKLDYPWVHG-UHFFFAOYSA-N
XLogP5.41
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 51361477) is N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is CCC(c1nc2ccccc2[nH]1)N(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JGQILKLDYPWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-2-23(25-28-20-12-6-7-13-21(20)29-25)31(17-18-9-8-14-27-16-18)26(32)22-15-24(33-30-22)19-10-4-3-5-11-19/h3-16,23H,2,17H2,1H3,(H,28,29).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)propyl]-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51361477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).