6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one

C15H17NO4 — CID 103162397

IUPAC6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one
SMILESCCOC1CC(CC(=O)c2ccc3[nH]c(=O)oc3c2)C1
InChIInChI=1S/C15H17NO4/c1-2-19-11-5-9(6-11)7-13(17)10-3-4-12-14(8-10)20-15(18)16-12/h3-4,8-9,11H,2,5-7H2,1H3,(H,16,18)
InChIKeyCQUIODKKHUGZIT-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.51
Rot. Bonds5

About 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one

6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one (PubChem CID 103162397) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one
PubChem CID103162397
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one
SMILESCCOC1CC(CC(=O)c2ccc3[nH]c(=O)oc3c2)C1
InChIInChI=1S/C15H17NO4/c1-2-19-11-5-9(6-11)7-13(17)10-3-4-12-14(8-10)20-15(18)16-12/h3-4,8-9,11H,2,5-7H2,1H3,(H,16,18)
InChIKeyCQUIODKKHUGZIT-UHFFFAOYSA-N
XLogP2.51
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one (CID 103162397) is 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one is CCOC1CC(CC(=O)c2ccc3[nH]c(=O)oc3c2)C1.
What is the InChIKey of 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is CQUIODKKHUGZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-19-11-5-9(6-11)7-13(17)10-3-4-12-14(8-10)20-15(18)16-12/h3-4,8-9,11H,2,5-7H2,1H3,(H,16,18).
What are the key properties of 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one?
6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 275.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-ethoxycyclobutyl)acetyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 103162397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).