2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide

C14H18N2O2 — CID 22519716

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-10(2)7-8-15-14(17)9-12-11-5-3-4-6-13(11)18-16-12/h3-6,10H,7-9H2,1-2H3,(H,15,17)
InChIKeyKVHWJLYIIGHTOT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.53
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide (PubChem CID 22519716) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide
PubChem CID22519716
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-10(2)7-8-15-14(17)9-12-11-5-3-4-6-13(11)18-16-12/h3-6,10H,7-9H2,1-2H3,(H,15,17)
InChIKeyKVHWJLYIIGHTOT-UHFFFAOYSA-N
XLogP2.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide (CID 22519716) is 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is KVHWJLYIIGHTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)7-8-15-14(17)9-12-11-5-3-4-6-13(11)18-16-12/h3-6,10H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 22519716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).