N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C15H19N3O3 — CID 138009431

IUPACN-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(Cc2ccc(O)cc2C)n1
InChIInChI=1S/C15H19N3O3/c1-9-7-12(20)6-5-11(9)8-13-16-14(18-21-13)15(3,4)17-10(2)19/h5-7,20H,8H2,1-4H3,(H,17,19)
InChIKeyYHBWNBBQOAWSCN-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.05
Rot. Bonds4

About N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 138009431) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID138009431
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(Cc2ccc(O)cc2C)n1
InChIInChI=1S/C15H19N3O3/c1-9-7-12(20)6-5-11(9)8-13-16-14(18-21-13)15(3,4)17-10(2)19/h5-7,20H,8H2,1-4H3,(H,17,19)
InChIKeyYHBWNBBQOAWSCN-UHFFFAOYSA-N
XLogP2.05
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 138009431) is N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(Cc2ccc(O)cc2C)n1.
What is the InChIKey of N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is YHBWNBBQOAWSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-7-12(20)6-5-11(9)8-13-16-14(18-21-13)15(3,4)17-10(2)19/h5-7,20H,8H2,1-4H3,(H,17,19).
What are the key properties of N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 138009431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).