N-(1,3-benzoxazol-6-yl)acetamide

C9H8N2O2 — CID 54228397

IUPACN-(1,3-benzoxazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C9H8N2O2/c1-6(12)11-7-2-3-8-9(4-7)13-5-10-8/h2-5H,1H3,(H,11,12)
InChIKeyQHMFGKGQZVTCQB-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.79
Rot. Bonds1

About N-(1,3-benzoxazol-6-yl)acetamide

N-(1,3-benzoxazol-6-yl)acetamide (PubChem CID 54228397) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)acetamide
PubChem CID54228397
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC NameN-(1,3-benzoxazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C9H8N2O2/c1-6(12)11-7-2-3-8-9(4-7)13-5-10-8/h2-5H,1H3,(H,11,12)
InChIKeyQHMFGKGQZVTCQB-UHFFFAOYSA-N
XLogP1.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
N-(1,3-benzoxazol-6-yl)-1-cyanoformamide
CID 115171898
1-(1,3-benzoxazol-6-yl)-3-propylurea
CID 110748641
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide
CID 115153507
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
(E)-4-(1,3-benzoxazol-6-ylamino)-4-oxobut-2-enoate
CID 7015274
4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide
CID 115156904
N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide
CID 110785059
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)acetamide (CID 54228397) is N-(1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)acetamide is CC(=O)Nc1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)acetamide?
The InChIKey is QHMFGKGQZVTCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6(12)11-7-2-3-8-9(4-7)13-5-10-8/h2-5H,1H3,(H,11,12).
What are the key properties of N-(1,3-benzoxazol-6-yl)acetamide?
N-(1,3-benzoxazol-6-yl)acetamide has a molecular weight of 176.17 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 54228397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).