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

C23H17N5O2 — CID 78886869

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C23H17N5O2/c29-23(20-12-21(30-28-20)17-7-4-10-24-13-17)27-22(15-5-2-1-3-6-15)16-8-9-18-19(11-16)26-14-25-18/h1-14,22H,(H,25,26)(H,27,29)
InChIKeyULIPQTCMMKVOMN-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.13
Rot. Bonds5

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

N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 78886869) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID78886869
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C23H17N5O2/c29-23(20-12-21(30-28-20)17-7-4-10-24-13-17)27-22(15-5-2-1-3-6-15)16-8-9-18-19(11-16)26-14-25-18/h1-14,22H,(H,25,26)(H,27,29)
InChIKeyULIPQTCMMKVOMN-UHFFFAOYSA-N
XLogP4.13
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 78886869) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ULIPQTCMMKVOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c29-23(20-12-21(30-28-20)17-7-4-10-24-13-17)27-22(15-5-2-1-3-6-15)16-8-9-18-19(11-16)26-14-25-18/h1-14,22H,(H,25,26)(H,27,29).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 78886869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).