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

C14H18N2O2 — CID 46554827

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-4-14(2,3)15-13(17)9-11-10-7-5-6-8-12(10)18-16-11/h5-8H,4,9H2,1-3H3,(H,15,17)
InChIKeyJVZLWIRMPDPPDG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.68
Rot. Bonds4

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

2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 46554827) 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-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID46554827
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cc1noc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-4-14(2,3)15-13(17)9-11-10-7-5-6-8-12(10)18-16-11/h5-8H,4,9H2,1-3H3,(H,15,17)
InChIKeyJVZLWIRMPDPPDG-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(1-chloro-2-methylbutan-2-yl)acetamide
CID 114303639
2-(1,2-benzoxazol-3-yl)-N-(2-cyanopropan-2-yl)acetamide
CID 61127889
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
2-(1,2-benzoxazol-3-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
CID 9183197
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 22519739
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922
2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 96567175
2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
CID 86860516

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide (CID 46554827) is 2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is JVZLWIRMPDPPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-14(2,3)15-13(17)9-11-10-7-5-6-8-12(10)18-16-11/h5-8H,4,9H2,1-3H3,(H,15,17).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.68, 4 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 46554827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).