N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide

C21H15N5O2 — CID 122447514

IUPACN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C21H15N5O2/c1-12(27)23-15-8-14(10-22-11-15)13-6-7-18-19(9-13)28-21(26-18)20-24-16-4-2-3-5-17(16)25-20/h2-11H,1H3,(H,23,27)(H,24,25)
InChIKeyKXHZKIBTTXDECZ-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.39
Rot. Bonds3

About N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide

N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide (PubChem CID 122447514) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide
PubChem CID122447514
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC NameN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C21H15N5O2/c1-12(27)23-15-8-14(10-22-11-15)13-6-7-18-19(9-13)28-21(26-18)20-24-16-4-2-3-5-17(16)25-20/h2-11H,1H3,(H,23,27)(H,24,25)
InChIKeyKXHZKIBTTXDECZ-UHFFFAOYSA-N
XLogP4.39
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide (CID 122447514) is N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1.
What is the InChIKey of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide?
The InChIKey is KXHZKIBTTXDECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-12(27)23-15-8-14(10-22-11-15)13-6-7-18-19(9-13)28-21(26-18)20-24-16-4-2-3-5-17(16)25-20/h2-11H,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide?
N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide has a molecular weight of 369.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 122447514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).