7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C23H25N3O2 — CID 44540845

IUPAC7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cccc(N3CCN(CCCC4=CCc5ccccc54)CC3)c2o1
InChIInChI=1S/C23H25N3O2/c27-23-24-20-8-3-9-21(22(20)28-23)26-15-13-25(14-16-26)12-4-6-18-11-10-17-5-1-2-7-19(17)18/h1-3,5,7-9,11H,4,6,10,12-16H2,(H,24,27)
InChIKeyNBEGULJEDOLHOO-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.66
Rot. Bonds5

About 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 44540845) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID44540845
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cccc(N3CCN(CCCC4=CCc5ccccc54)CC3)c2o1
InChIInChI=1S/C23H25N3O2/c27-23-24-20-8-3-9-21(22(20)28-23)26-15-13-25(14-16-26)12-4-6-18-11-10-17-5-1-2-7-19(17)18/h1-3,5,7-9,11H,4,6,10,12-16H2,(H,24,27)
InChIKeyNBEGULJEDOLHOO-UHFFFAOYSA-N
XLogP3.66
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 44540845) is 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cccc(N3CCN(CCCC4=CCc5ccccc54)CC3)c2o1.
What is the InChIKey of 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is NBEGULJEDOLHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23-24-20-8-3-9-21(22(20)28-23)26-15-13-25(14-16-26)12-4-6-18-11-10-17-5-1-2-7-19(17)18/h1-3,5,7-9,11H,4,6,10,12-16H2,(H,24,27).
What are the key properties of 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 44540845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).