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

C23H24N4O2 — CID 45278628

IUPAC2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21
InChIInChI=1S/C23H24N4O2/c24-22(28)14-27-11-10-17-12-15(6-8-20(17)27)16-7-9-21-19(13-16)26-23(29-21)25-18-4-2-1-3-5-18/h6-13,18H,1-5,14H2,(H2,24,28)(H,25,26)
InChIKeyOTGUYVHQMJCOLX-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.68
Rot. Bonds5

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

2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide (PubChem CID 45278628) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide
PubChem CID45278628
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21
InChIInChI=1S/C23H24N4O2/c24-22(28)14-27-11-10-17-12-15(6-8-20(17)27)16-7-9-21-19(13-16)26-23(29-21)25-18-4-2-1-3-5-18/h6-13,18H,1-5,14H2,(H2,24,28)(H,25,26)
InChIKeyOTGUYVHQMJCOLX-UHFFFAOYSA-N
XLogP4.68
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide?
The IUPAC name of 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide (CID 45278628) is 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide?
The canonical SMILES for 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide is NC(=O)Cn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21.
What is the InChIKey of 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide?
The InChIKey is OTGUYVHQMJCOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-22(28)14-27-11-10-17-12-15(6-8-20(17)27)16-7-9-21-19(13-16)26-23(29-21)25-18-4-2-1-3-5-18/h6-13,18H,1-5,14H2,(H2,24,28)(H,25,26).
What are the key properties of 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide?
2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]indol-1-yl]acetamide is sourced from PubChem (CID 45278628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).