5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C17H15N3O3 — CID 110392937

IUPAC5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)o1
InChIInChI=1S/C17H15N3O3/c1-12-19-20-17(23-12)16(21)18-14-7-9-15(10-8-14)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyGOWYARUSJVJATC-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.21
Rot. Bonds5

About 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392937) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392937
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)o1
InChIInChI=1S/C17H15N3O3/c1-12-19-20-17(23-12)16(21)18-14-7-9-15(10-8-14)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)
InChIKeyGOWYARUSJVJATC-UHFFFAOYSA-N
XLogP3.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602961
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
1-[(4-bromophenyl)methyl]-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602924
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392937) is 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is Cc1nnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)o1.
What is the InChIKey of 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GOWYARUSJVJATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-19-20-17(23-12)16(21)18-14-7-9-15(10-8-14)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).