2H-cyclopenta[g][1,3]benzoxazole

C10H7NO — CID 141024625

IUPAC2H-cyclopenta[g][1,3]benzoxazole
SMILESC1=Cc2c3c(ccc2=C1)=NCO3
InChIInChI=1S/C10H7NO/c1-2-7-4-5-9-10(8(7)3-1)12-6-11-9/h1-5H,6H2
InChIKeyLNVWOEDKCUSDQN-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.46
Rot. Bonds

About 2H-cyclopenta[g][1,3]benzoxazole

2H-cyclopenta[g][1,3]benzoxazole (PubChem CID 141024625) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 2H-cyclopenta[g][1,3]benzoxazole.

Molecular Properties

Compound Name2H-cyclopenta[g][1,3]benzoxazole
PubChem CID141024625
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name2H-cyclopenta[g][1,3]benzoxazole
SMILESC1=Cc2c3c(ccc2=C1)=NCO3
InChIInChI=1S/C10H7NO/c1-2-7-4-5-9-10(8(7)3-1)12-6-11-9/h1-5H,6H2
InChIKeyLNVWOEDKCUSDQN-UHFFFAOYSA-N
XLogP0.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[g][1,3]benzoxazole?
The IUPAC name of 2H-cyclopenta[g][1,3]benzoxazole (CID 141024625) is 2H-cyclopenta[g][1,3]benzoxazole.
What is the SMILES notation for 2H-cyclopenta[g][1,3]benzoxazole?
The canonical SMILES for 2H-cyclopenta[g][1,3]benzoxazole is C1=Cc2c3c(ccc2=C1)=NCO3.
What is the InChIKey of 2H-cyclopenta[g][1,3]benzoxazole?
The InChIKey is LNVWOEDKCUSDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c1-2-7-4-5-9-10(8(7)3-1)12-6-11-9/h1-5H,6H2.
What are the key properties of 2H-cyclopenta[g][1,3]benzoxazole?
2H-cyclopenta[g][1,3]benzoxazole has a molecular weight of 157.17 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[g][1,3]benzoxazole is sourced from PubChem (CID 141024625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).