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

C11H12N2O2 — CID 110728829

IUPACN-(1,3-benzoxazol-6-yl)butanamide
SMILESCCCC(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C11H12N2O2/c1-2-3-11(14)13-8-4-5-9-10(6-8)15-7-12-9/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyQYJUUXVMYIKXTN-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.57
Rot. Bonds3

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

N-(1,3-benzoxazol-6-yl)butanamide (PubChem CID 110728829) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)butanamide
PubChem CID110728829
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(1,3-benzoxazol-6-yl)butanamide
SMILESCCCC(=O)Nc1ccc2ncoc2c1
InChIInChI=1S/C11H12N2O2/c1-2-3-11(14)13-8-4-5-9-10(6-8)15-7-12-9/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyQYJUUXVMYIKXTN-UHFFFAOYSA-N
XLogP2.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
1-(1,3-benzoxazol-6-yl)-3-propylurea
CID 110748641
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
N-(1,3-benzoxazol-6-ylmethyl)butanamide
CID 110784925
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
2-amino-4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoic acid
CID 115180959
N-phenazin-2-ylbutanamide
CID 73349412
N-(1,3-benzoxazol-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 110728880
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
3-amino-N-(1,3-benzoxazol-6-yl)-2-methylpropanamide
CID 115153507

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)butanamide (CID 110728829) is N-(1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)butanamide is CCCC(=O)Nc1ccc2ncoc2c1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)butanamide?
The InChIKey is QYJUUXVMYIKXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-3-11(14)13-8-4-5-9-10(6-8)15-7-12-9/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of N-(1,3-benzoxazol-6-yl)butanamide?
N-(1,3-benzoxazol-6-yl)butanamide has a molecular weight of 204.23 g/mol, XLogP of 2.57, 3 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)butanamide is sourced from PubChem (CID 110728829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).