N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide

C14H16N2O3 — CID 67785845

IUPACN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide
SMILESO=C1C=Cc2nc(CCNC(=O)C3CCC3)oc2C1
InChIInChI=1S/C14H16N2O3/c17-10-4-5-11-12(8-10)19-13(16-11)6-7-15-14(18)9-2-1-3-9/h4-5,9H,1-3,6-8H2,(H,15,18)
InChIKeyJTUGEOWJCKDJEI-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.27
Rot. Bonds4

About N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide

N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide (PubChem CID 67785845) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide
PubChem CID67785845
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide
SMILESO=C1C=Cc2nc(CCNC(=O)C3CCC3)oc2C1
InChIInChI=1S/C14H16N2O3/c17-10-4-5-11-12(8-10)19-13(16-11)6-7-15-14(18)9-2-1-3-9/h4-5,9H,1-3,6-8H2,(H,15,18)
InChIKeyJTUGEOWJCKDJEI-UHFFFAOYSA-N
XLogP1.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide (CID 67785845) is N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide is O=C1C=Cc2nc(CCNC(=O)C3CCC3)oc2C1.
What is the InChIKey of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is JTUGEOWJCKDJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-10-4-5-11-12(8-10)19-13(16-11)6-7-15-14(18)9-2-1-3-9/h4-5,9H,1-3,6-8H2,(H,15,18).
What are the key properties of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide?
N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 67785845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).