N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide

C18H16N4O2 — CID 135590194

IUPACN-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C18H16N4O2/c1-12(23)19-14-9-6-13(7-10-14)8-11-17-20-18(22-21-17)15-4-2-3-5-16(15)24/h2-11,24H,1H3,(H,19,23)(H,20,21,22)/b11-8+
InChIKeyRXIKLIZQXCALFX-DHZHZOJOSA-N
MW320.35 g/mol
LogP3.31
Rot. Bonds4

About N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide

N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide (PubChem CID 135590194) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide
PubChem CID135590194
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C18H16N4O2/c1-12(23)19-14-9-6-13(7-10-14)8-11-17-20-18(22-21-17)15-4-2-3-5-16(15)24/h2-11,24H,1H3,(H,19,23)(H,20,21,22)/b11-8+
InChIKeyRXIKLIZQXCALFX-DHZHZOJOSA-N
XLogP3.31
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide (CID 135590194) is N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1.
What is the InChIKey of N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide?
The InChIKey is RXIKLIZQXCALFX-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12(23)19-14-9-6-13(7-10-14)8-11-17-20-18(22-21-17)15-4-2-3-5-16(15)24/h2-11,24H,1H3,(H,19,23)(H,20,21,22)/b11-8+.
What are the key properties of N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide?
N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide has a molecular weight of 320.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 135590194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).