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

C17H15N3O3 — CID 110322864

IUPACphenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCc1ccc(-c2noc(CNC(=O)Oc3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O3/c1-12-7-9-13(10-8-12)16-19-15(23-20-16)11-18-17(21)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,21)
InChIKeyPGRVVILKFGYRMN-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.33
Rot. Bonds4

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

phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate (PubChem CID 110322864) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
PubChem CID110322864
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Namephenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCc1ccc(-c2noc(CNC(=O)Oc3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O3/c1-12-7-9-13(10-8-12)16-19-15(23-20-16)11-18-17(21)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,21)
InChIKeyPGRVVILKFGYRMN-UHFFFAOYSA-N
XLogP3.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322766
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110323055
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894982
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
2,6-dichloro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875106
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
2-(3-chlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658213

Frequently Asked Questions

What is the IUPAC name of phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The IUPAC name of phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate (CID 110322864) is phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate.
What is the SMILES notation for phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The canonical SMILES for phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate is Cc1ccc(-c2noc(CNC(=O)Oc3ccccc3)n2)cc1.
What is the InChIKey of phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The InChIKey is PGRVVILKFGYRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-7-9-13(10-8-12)16-19-15(23-20-16)11-18-17(21)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate has a molecular weight of 309.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 110322864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).