2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide

C19H17N3O2 — CID 110794630

IUPAC2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2o1
InChIInChI=1S/C19H17N3O2/c1-12-22-17-7-6-13(8-18(17)24-12)10-21-19(23)9-14-11-20-16-5-3-2-4-15(14)16/h2-8,11,20H,9-10H2,1H3,(H,21,23)
InChIKeyDGJJZWNAYQDGAN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.48
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide

2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide (PubChem CID 110794630) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
PubChem CID110794630
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2o1
InChIInChI=1S/C19H17N3O2/c1-12-22-17-7-6-13(8-18(17)24-12)10-21-19(23)9-14-11-20-16-5-3-2-4-15(14)16/h2-8,11,20H,9-10H2,1H3,(H,21,23)
InChIKeyDGJJZWNAYQDGAN-UHFFFAOYSA-N
XLogP3.48
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110794606
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
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-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide (CID 110794630) is 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide is Cc1nc2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2o1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
The InChIKey is DGJJZWNAYQDGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-22-17-7-6-13(8-18(17)24-12)10-21-19(23)9-14-11-20-16-5-3-2-4-15(14)16/h2-8,11,20H,9-10H2,1H3,(H,21,23).
What are the key properties of 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide?
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide is sourced from PubChem (CID 110794630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).