3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

C12H13N3O4 — CID 103892309

IUPAC3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc(CCNC(=O)c2cc(O)cc(O)c2)n1
InChIInChI=1S/C12H13N3O4/c1-7-14-11(19-15-7)2-3-13-12(18)8-4-9(16)6-10(17)5-8/h4-6,16-17H,2-3H2,1H3,(H,13,18)
InChIKeyCSCUSQZCPFLEHH-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.76
Rot. Bonds4

About 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 103892309) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID103892309
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc(CCNC(=O)c2cc(O)cc(O)c2)n1
InChIInChI=1S/C12H13N3O4/c1-7-14-11(19-15-7)2-3-13-12(18)8-4-9(16)6-10(17)5-8/h4-6,16-17H,2-3H2,1H3,(H,13,18)
InChIKeyCSCUSQZCPFLEHH-UHFFFAOYSA-N
XLogP0.76
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113234051
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
3-amino-5-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413376
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106421849
4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 71972554
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 114185674
2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103882691
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-6-carboxamide
CID 106416306
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 104938878
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113230361

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 103892309) is 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1noc(CCNC(=O)c2cc(O)cc(O)c2)n1.
What is the InChIKey of 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is CSCUSQZCPFLEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-14-11(19-15-7)2-3-13-12(18)8-4-9(16)6-10(17)5-8/h4-6,16-17H,2-3H2,1H3,(H,13,18).
What are the key properties of 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 263.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 103892309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).