3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide

C14H16N4O5 — CID 75269878

IUPAC3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(O)CNC(=O)c1nc(COc2ccccc2C(N)=O)no1
InChIInChI=1S/C14H16N4O5/c1-8(19)6-16-13(21)14-17-11(18-23-14)7-22-10-5-3-2-4-9(10)12(15)20/h2-5,8,19H,6-7H2,1H3,(H2,15,20)(H,16,21)
InChIKeyZNQIBFPIGGBCFR-UHFFFAOYSA-N
MW320.31 g/mol
LogP-0.14
Rot. Bonds7

About 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide

3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 75269878) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID75269878
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(O)CNC(=O)c1nc(COc2ccccc2C(N)=O)no1
InChIInChI=1S/C14H16N4O5/c1-8(19)6-16-13(21)14-17-11(18-23-14)7-22-10-5-3-2-4-9(10)12(15)20/h2-5,8,19H,6-7H2,1H3,(H2,15,20)(H,16,21)
InChIKeyZNQIBFPIGGBCFR-UHFFFAOYSA-N
XLogP-0.14
TPSA140.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45495123
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 98229547
N-[(2R)-2-hydroxypropyl]-3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39340967
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
CID 17161980
3-[(2-acetamidophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 45494912
3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 75117853
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534811
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 20788759
3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
CID 45495257

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide (CID 75269878) is 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide is CC(O)CNC(=O)c1nc(COc2ccccc2C(N)=O)no1.
What is the InChIKey of 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZNQIBFPIGGBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-8(19)6-16-13(21)14-17-11(18-23-14)7-22-10-5-3-2-4-9(10)12(15)20/h2-5,8,19H,6-7H2,1H3,(H2,15,20)(H,16,21).
What are the key properties of 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 320.31 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoylphenoxy)methyl]-N-(2-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 75269878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).