2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide

C21H21N3O2 — CID 71884844

IUPAC2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide
SMILESCC(C)Cn1ccc2cc(NC(=O)Cc3noc4ccccc34)ccc21
InChIInChI=1S/C21H21N3O2/c1-14(2)13-24-10-9-15-11-16(7-8-19(15)24)22-21(25)12-18-17-5-3-4-6-20(17)26-23-18/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyWHCKZNJVEWBSGP-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.62
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide (PubChem CID 71884844) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide
PubChem CID71884844
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide
SMILESCC(C)Cn1ccc2cc(NC(=O)Cc3noc4ccccc34)ccc21
InChIInChI=1S/C21H21N3O2/c1-14(2)13-24-10-9-15-11-16(7-8-19(15)24)22-21(25)12-18-17-5-3-4-6-20(17)26-23-18/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyWHCKZNJVEWBSGP-UHFFFAOYSA-N
XLogP4.62
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
N-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-methoxyphenyl]-3-methylbutanamide
CID 50958245
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide
CID 47080802
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 71894065
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
ethyl 1-[3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]phenyl]pyrazole-3-carboxylate
CID 39015066
2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8927421

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide (CID 71884844) is 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide is CC(C)Cn1ccc2cc(NC(=O)Cc3noc4ccccc34)ccc21.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide?
The InChIKey is WHCKZNJVEWBSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14(2)13-24-10-9-15-11-16(7-8-19(15)24)22-21(25)12-18-17-5-3-4-6-20(17)26-23-18/h3-11,14H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.62, 5 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-[1-(2-methylpropyl)indol-5-yl]acetamide is sourced from PubChem (CID 71884844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).