N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide

C17H12ClN3O2 — CID 17402933

IUPACN-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C17H12ClN3O2/c18-11-5-6-15-14(8-11)20-17(23-15)21-16(22)7-10-9-19-13-4-2-1-3-12(10)13/h1-6,8-9,19H,7H2,(H,20,21,22)
InChIKeyAZIMZAMEBZKEAG-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.14
Rot. Bonds3

About N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide

N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 17402933) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID17402933
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC NameN-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C17H12ClN3O2/c18-11-5-6-15-14(8-11)20-17(23-15)21-16(22)7-10-9-19-13-4-2-1-3-12(10)13/h1-6,8-9,19H,7H2,(H,20,21,22)
InChIKeyAZIMZAMEBZKEAG-UHFFFAOYSA-N
XLogP4.14
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 90655333
2-(6-chloro-1H-indol-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 155945110
N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110741802
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 31829676
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide (CID 17402933) is N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1nc2cc(Cl)ccc2o1.
What is the InChIKey of N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is AZIMZAMEBZKEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-11-5-6-15-14(8-11)20-17(23-15)21-16(22)7-10-9-19-13-4-2-1-3-12(10)13/h1-6,8-9,19H,7H2,(H,20,21,22).
What are the key properties of N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 325.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 17402933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).