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

C18H15N3O2 — CID 110741802

IUPACN-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1nc2ccccc2o1
InChIInChI=1S/C18H15N3O2/c22-17(9-12-10-19-14-6-2-1-5-13(12)14)20-11-18-21-15-7-3-4-8-16(15)23-18/h1-8,10,19H,9,11H2,(H,20,22)
InChIKeyYZAGCFVRHXYDPM-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.17
Rot. Bonds4

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

N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 110741802) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
PubChem CID110741802
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1nc2ccccc2o1
InChIInChI=1S/C18H15N3O2/c22-17(9-12-10-19-14-6-2-1-5-13(12)14)20-11-18-21-15-7-3-4-8-16(15)23-18/h1-8,10,19H,9,11H2,(H,20,22)
InChIKeyYZAGCFVRHXYDPM-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

1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
CID 40735475
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8511705
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 17426636
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110794606
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 110794762
N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 17402933
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide (CID 110741802) is N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is YZAGCFVRHXYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17(9-12-10-19-14-6-2-1-5-13(12)14)20-11-18-21-15-7-3-4-8-16(15)23-18/h1-8,10,19H,9,11H2,(H,20,22).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide?
N-(1,3-benzoxazol-2-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-2-ylmethyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 110741802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).