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

C15H20N2O3 — CID 54532574

IUPACN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide
SMILESCN1c2ccc(O)cc2OC1CCNC(=O)C1CCC1
InChIInChI=1S/C15H20N2O3/c1-17-12-6-5-11(18)9-13(12)20-14(17)7-8-16-15(19)10-3-2-4-10/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,16,19)
InChIKeyYXNWYRLSETYKTD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.85
Rot. Bonds4

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

N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide (PubChem CID 54532574) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide
PubChem CID54532574
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide
SMILESCN1c2ccc(O)cc2OC1CCNC(=O)C1CCC1
InChIInChI=1S/C15H20N2O3/c1-17-12-6-5-11(18)9-13(12)20-14(17)7-8-16-15(19)10-3-2-4-10/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,16,19)
InChIKeyYXNWYRLSETYKTD-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide (CID 54532574) is N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide is CN1c2ccc(O)cc2OC1CCNC(=O)C1CCC1.
What is the InChIKey of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is YXNWYRLSETYKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17-12-6-5-11(18)9-13(12)20-14(17)7-8-16-15(19)10-3-2-4-10/h5-6,9-10,14,18H,2-4,7-8H2,1H3,(H,16,19).
What are the key properties of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide?
N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 54532574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).