4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C20H17N5O2 — CID 47059602

IUPAC4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(-c2cnco2)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H17N5O2/c1-14(15-6-8-18(9-7-15)25-12-22-11-23-25)24-20(26)17-4-2-16(3-5-17)19-10-21-13-27-19/h2-14H,1H3,(H,24,26)
InChIKeyNQTUOIPEAFKMIX-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.41
Rot. Bonds5

About 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 47059602) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
PubChem CID47059602
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(-c2cnco2)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H17N5O2/c1-14(15-6-8-18(9-7-15)25-12-22-11-23-25)24-20(26)17-4-2-16(3-5-17)19-10-21-13-27-19/h2-14H,1H3,(H,24,26)
InChIKeyNQTUOIPEAFKMIX-UHFFFAOYSA-N
XLogP3.41
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1,3-dioxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 39964916
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
4-(methylsulfamoyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51221629
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
2-(4-methylphenyl)-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94448741
2-(ethylamino)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 97138534
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
4-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-2-carboxamide
CID 95784465
2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 51199209
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 99794445

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 47059602) is 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is CC(NC(=O)c1ccc(-c2cnco2)cc1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The InChIKey is NQTUOIPEAFKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-14(15-6-8-18(9-7-15)25-12-22-11-23-25)24-20(26)17-4-2-16(3-5-17)19-10-21-13-27-19/h2-14H,1H3,(H,24,26).
What are the key properties of 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 47059602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).