N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide

C19H19N5O2 — CID 91767891

IUPACN'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide
SMILESO=C(NCc1nncn1CCc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N5O2/c25-18(19(26)22-16-9-5-2-6-10-16)20-13-17-23-21-14-24(17)12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,20,25)(H,22,26)
InChIKeyVIAYHHLZKFQGTB-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.78
Rot. Bonds6

About N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide

N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide (PubChem CID 91767891) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide
PubChem CID91767891
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide
SMILESO=C(NCc1nncn1CCc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N5O2/c25-18(19(26)22-16-9-5-2-6-10-16)20-13-17-23-21-14-24(17)12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,20,25)(H,22,26)
InChIKeyVIAYHHLZKFQGTB-UHFFFAOYSA-N
XLogP1.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide
CID 118772148
4,4,4-trifluoro-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]butanamide
CID 118775336
3,4-bis(2-phenylethyl)-1,2,4-triazole
CID 141167257
1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
CID 131924675
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155938046
(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 124679845
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 99974084
2-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propane-1-sulfonamide
CID 131914611
6-oxo-1-(2-phenylethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 45199030
1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 131899744

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide?
The IUPAC name of N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide (CID 91767891) is N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide.
What is the SMILES notation for N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide?
The canonical SMILES for N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide is O=C(NCc1nncn1CCc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide?
The InChIKey is VIAYHHLZKFQGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(19(26)22-16-9-5-2-6-10-16)20-13-17-23-21-14-24(17)12-11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,20,25)(H,22,26).
What are the key properties of N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide?
N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide has a molecular weight of 349.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide is sourced from PubChem (CID 91767891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).