2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide

C14H10ClN3O2 — CID 1235388

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cccnc1Cl
InChIInChI=1S/C14H10ClN3O2/c15-14-10(5-3-7-16-14)17-13(19)8-11-9-4-1-2-6-12(9)20-18-11/h1-7H,8H2,(H,17,19)
InChIKeyPFQJCZVNHKPBIK-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.06
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 1235388) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID1235388
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1cccnc1Cl
InChIInChI=1S/C14H10ClN3O2/c15-14-10(5-3-7-16-14)17-13(19)8-11-9-4-1-2-6-12(9)20-18-11/h1-7H,8H2,(H,17,19)
InChIKeyPFQJCZVNHKPBIK-UHFFFAOYSA-N
XLogP3.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739
N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 29042375
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
CID 81260654
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
2-(1,2-benzoxazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 26157703
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
2-(1,2-benzoxazol-3-yl)-N-(4-bromo-2-pyridinyl)acetamide
CID 102820520
2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46480330

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide (CID 1235388) is 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide is O=C(Cc1noc2ccccc12)Nc1cccnc1Cl.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is PFQJCZVNHKPBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-14-10(5-3-7-16-14)17-13(19)8-11-9-4-1-2-6-12(9)20-18-11/h1-7H,8H2,(H,17,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 287.71 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 1235388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).