N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide

C15H18N2O2 — CID 10967169

IUPACN-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3ocnc3c21
InChIInChI=1S/C15H18N2O2/c1-2-13(18)16-8-7-11-4-3-10-5-6-12-15(14(10)11)17-9-19-12/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyGQWFMEOWOGBUAC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide

N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide (PubChem CID 10967169) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide
PubChem CID10967169
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3ocnc3c21
InChIInChI=1S/C15H18N2O2/c1-2-13(18)16-8-7-11-4-3-10-5-6-12-15(14(10)11)17-9-19-12/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyGQWFMEOWOGBUAC-UHFFFAOYSA-N
XLogP2.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide?
The IUPAC name of N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide (CID 10967169) is N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3ocnc3c21.
What is the InChIKey of N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide?
The InChIKey is GQWFMEOWOGBUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-13(18)16-8-7-11-4-3-10-5-6-12-15(14(10)11)17-9-19-12/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide?
N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,8-dihydro-6H-cyclopenta[e][1,3]benzoxazol-8-yl)ethyl]propanamide is sourced from PubChem (CID 10967169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).