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

C18H16N4O4 — CID 45017389

IUPACethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H16N4O4/c1-2-25-18(24)19-14-10-6-9-13(11-14)15(23)20-17-22-21-16(26-17)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,19,24)(H,20,22,23)
InChIKeyVOWHUWHJCSLRMQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.56
Rot. Bonds5

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

ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate (PubChem CID 45017389) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
PubChem CID45017389
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Nameethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H16N4O4/c1-2-25-18(24)19-14-10-6-9-13(11-14)15(23)20-17-22-21-16(26-17)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,19,24)(H,20,22,23)
InChIKeyVOWHUWHJCSLRMQ-UHFFFAOYSA-N
XLogP3.56
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]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

3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(2,2,2-trichloroacetyl)amino]benzamide
CID 45010959
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 43975859
ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate
CID 45013153
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate (CID 45017389) is ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate?
The InChIKey is VOWHUWHJCSLRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-2-25-18(24)19-14-10-6-9-13(11-14)15(23)20-17-22-21-16(26-17)12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,19,24)(H,20,22,23).
What are the key properties of ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate has a molecular weight of 352.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 45017389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).