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

C15H13N3O3S — CID 110322484

IUPACphenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nnc(-c2cccs2)o1)Oc1ccccc1
InChIInChI=1S/C15H13N3O3S/c19-15(20-11-5-2-1-3-6-11)16-9-8-13-17-18-14(21-13)12-7-4-10-22-12/h1-7,10H,8-9H2,(H,16,19)
InChIKeyOCUBAUVPGPJWTA-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.13
Rot. Bonds5

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

phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 110322484) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID110322484
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Namephenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nnc(-c2cccs2)o1)Oc1ccccc1
InChIInChI=1S/C15H13N3O3S/c19-15(20-11-5-2-1-3-6-11)16-9-8-13-17-18-14(21-13)12-7-4-10-22-12/h1-7,10H,8-9H2,(H,16,19)
InChIKeyOCUBAUVPGPJWTA-UHFFFAOYSA-N
XLogP3.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337
benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322483
phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321456
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424
3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110322438
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110322492
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161971
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]benzoic acid
CID 43092573
N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 110322484) is phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is O=C(NCCc1nnc(-c2cccs2)o1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is OCUBAUVPGPJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-15(20-11-5-2-1-3-6-11)16-9-8-13-17-18-14(21-13)12-7-4-10-22-12/h1-7,10H,8-9H2,(H,16,19).
What are the key properties of phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 315.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 110322484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).