4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide

C13H16N2O3 — CID 115162920

IUPAC4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
SMILESCc1nc2ccc(N(C)C(=O)CCCO)cc2o1
InChIInChI=1S/C13H16N2O3/c1-9-14-11-6-5-10(8-12(11)18-9)15(2)13(17)4-3-7-16/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyXHJMRAJKOQXVOV-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.87
Rot. Bonds4

About 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide

4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide (PubChem CID 115162920) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
PubChem CID115162920
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
SMILESCc1nc2ccc(N(C)C(=O)CCCO)cc2o1
InChIInChI=1S/C13H16N2O3/c1-9-14-11-6-5-10(8-12(11)18-9)15(2)13(17)4-3-7-16/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyXHJMRAJKOQXVOV-UHFFFAOYSA-N
XLogP1.87
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one
CID 115236387
2-bromoacetic acid;2-bromo-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide;N,2-dimethyl-1,3-benzoxazol-6-amine
CID 167680433
4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115163065
4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butan-1-ol
CID 115217706
methyl 3-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]propanoate
CID 115232332
2-bromo-N-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 166505833
1-[[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115242854
3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol
CID 116853227
2,2-dimethyl-3-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115136508
[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methanethiol
CID 115227813
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
CID 115166115
N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-2-[4-(3-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 144728484

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide (CID 115162920) is 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide is Cc1nc2ccc(N(C)C(=O)CCCO)cc2o1.
What is the InChIKey of 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is XHJMRAJKOQXVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-14-11-6-5-10(8-12(11)18-9)15(2)13(17)4-3-7-16/h5-6,8,16H,3-4,7H2,1-2H3.
What are the key properties of 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 248.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 115162920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).