2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide

C20H17N5O2 — CID 92575366

IUPAC2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1)NCc1ccc(-c2ccnc3ncnn23)cc1
InChIInChI=1S/C20H17N5O2/c26-19(13-27-17-4-2-1-3-5-17)22-12-15-6-8-16(9-7-15)18-10-11-21-20-23-14-24-25(18)20/h1-11,14H,12-13H2,(H,22,26)
InChIKeyAOPNOHLUBJEOIX-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.49
Rot. Bonds6

About 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide

2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide (PubChem CID 92575366) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide
PubChem CID92575366
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1)NCc1ccc(-c2ccnc3ncnn23)cc1
InChIInChI=1S/C20H17N5O2/c26-19(13-27-17-4-2-1-3-5-17)22-12-15-6-8-16(9-7-15)18-10-11-21-20-23-14-24-25(18)20/h1-11,14H,12-13H2,(H,22,26)
InChIKeyAOPNOHLUBJEOIX-UHFFFAOYSA-N
XLogP2.49
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
CID 91356412
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-phenoxyacetamide
CID 9194458
2-phenoxy-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714395
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
2-phenoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867528
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide (CID 92575366) is 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide is O=C(COc1ccccc1)NCc1ccc(-c2ccnc3ncnn23)cc1.
What is the InChIKey of 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide?
The InChIKey is AOPNOHLUBJEOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-19(13-27-17-4-2-1-3-5-17)22-12-15-6-8-16(9-7-15)18-10-11-21-20-23-14-24-25(18)20/h1-11,14H,12-13H2,(H,22,26).
What are the key properties of 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide?
2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 92575366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).