5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide

C14H12N4O3 — CID 53002354

IUPAC5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H12N4O3/c1-9-11(7-16-20-9)13(19)15-8-12-17-14(21-18-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,19)
InChIKeyUVRVFOPTHWTEAV-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.96
Rot. Bonds4

About 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 53002354) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID53002354
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCc1noc(-c2ccccc2)n1
InChIInChI=1S/C14H12N4O3/c1-9-11(7-16-20-9)13(19)15-8-12-17-14(21-18-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,19)
InChIKeyUVRVFOPTHWTEAV-UHFFFAOYSA-N
XLogP1.96
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910
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3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
CID 51098204
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 90653338
1-(4-methylphenyl)-3-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 46917444
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-nitrobenzamide
CID 4297901
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 46961231

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide (CID 53002354) is 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCc1noc(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is UVRVFOPTHWTEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-11(7-16-20-9)13(19)15-8-12-17-14(21-18-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,19).
What are the key properties of 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53002354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).