N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide

C18H15N3O2 — CID 110794606

IUPACN-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccc2ncoc2c1
InChIInChI=1S/C18H15N3O2/c22-18(8-13-10-19-15-4-2-1-3-14(13)15)20-9-12-5-6-16-17(7-12)23-11-21-16/h1-7,10-11,19H,8-9H2,(H,20,22)
InChIKeyVGVIBDHMPDEMHE-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.17
Rot. Bonds4

About N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide

N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 110794606) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide
PubChem CID110794606
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccc2ncoc2c1
InChIInChI=1S/C18H15N3O2/c22-18(8-13-10-19-15-4-2-1-3-14(13)15)20-9-12-5-6-16-17(7-12)23-11-21-16/h1-7,10-11,19H,8-9H2,(H,20,22)
InChIKeyVGVIBDHMPDEMHE-UHFFFAOYSA-N
XLogP3.17
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630
N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925
N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide
CID 115163001
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 18117801
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110741802
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 110794762
2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide
CID 110746348
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide (CID 110794606) is N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is VGVIBDHMPDEMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(8-13-10-19-15-4-2-1-3-14(13)15)20-9-12-5-6-16-17(7-12)23-11-21-16/h1-7,10-11,19H,8-9H2,(H,20,22).
What are the key properties of N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide?
N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 110794606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).