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

C16H13N3O3 — CID 110418385

IUPACphenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESCc1noc(-c2cccc(NC(=O)Oc3ccccc3)c2)n1
InChIInChI=1S/C16H13N3O3/c1-11-17-15(22-19-11)12-6-5-7-13(10-12)18-16(20)21-14-8-3-2-4-9-14/h2-10H,1H3,(H,18,20)
InChIKeyRNYCRQWOQOMEKY-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.66
Rot. Bonds3

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

phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (PubChem CID 110418385) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
PubChem CID110418385
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Namephenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESCc1noc(-c2cccc(NC(=O)Oc3ccccc3)c2)n1
InChIInChI=1S/C16H13N3O3/c1-11-17-15(22-19-11)12-6-5-7-13(10-12)18-16(20)21-14-8-3-2-4-9-14/h2-10H,1H3,(H,18,20)
InChIKeyRNYCRQWOQOMEKY-UHFFFAOYSA-N
XLogP3.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
2-(4-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 46266992
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608062
3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 110418387
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
CID 110726422
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (CID 110418385) is phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate is Cc1noc(-c2cccc(NC(=O)Oc3ccccc3)c2)n1.
What is the InChIKey of phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The InChIKey is RNYCRQWOQOMEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-11-17-15(22-19-11)12-6-5-7-13(10-12)18-16(20)21-14-8-3-2-4-9-14/h2-10H,1H3,(H,18,20).
What are the key properties of phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate has a molecular weight of 295.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 110418385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).