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

C16H15N3O3S — CID 110322483

IUPACbenzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nnc(-c2cccs2)o1)OCc1ccccc1
InChIInChI=1S/C16H15N3O3S/c20-16(21-11-12-5-2-1-3-6-12)17-9-8-14-18-19-15(22-14)13-7-4-10-23-13/h1-7,10H,8-9,11H2,(H,17,20)
InChIKeyFFWJYYGCBGISNM-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.27
Rot. Bonds6

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

benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 110322483) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID110322483
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Namebenzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nnc(-c2cccs2)o1)OCc1ccccc1
InChIInChI=1S/C16H15N3O3S/c20-16(21-11-12-5-2-1-3-6-12)17-9-8-14-18-19-15(22-14)13-7-4-10-23-13/h1-7,10H,8-9,11H2,(H,17,20)
InChIKeyFFWJYYGCBGISNM-UHFFFAOYSA-N
XLogP3.27
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
CID 75390973
benzyl N-[2-(5-methyl-4-oxothieno[3,2-e][1,3]oxazin-2-yl)ethyl]carbamate
CID 67723070
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
N-[(4-chlorophenyl)methyl]-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335195
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
CID 18111263
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909
2-amino-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 43385486
phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321456

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 110322483) is benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is O=C(NCCc1nnc(-c2cccs2)o1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is FFWJYYGCBGISNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-16(21-11-12-5-2-1-3-6-12)17-9-8-14-18-19-15(22-14)13-7-4-10-23-13/h1-7,10H,8-9,11H2,(H,17,20).
What are the key properties of benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 329.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 110322483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).