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

C14H11N3O3S — CID 110322337

IUPACphenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
SMILESO=C(NCc1nnc(-c2cccs2)o1)Oc1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-14(19-10-5-2-1-3-6-10)15-9-12-16-17-13(20-12)11-7-4-8-21-11/h1-8H,9H2,(H,15,18)
InChIKeyBIYWFUKSDNIRQD-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.09
Rot. Bonds4

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

phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate (PubChem CID 110322337) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
PubChem CID110322337
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Namephenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
SMILESO=C(NCc1nnc(-c2cccs2)o1)Oc1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-14(19-10-5-2-1-3-6-10)15-9-12-16-17-13(20-12)11-7-4-8-21-11/h1-8H,9H2,(H,15,18)
InChIKeyBIYWFUKSDNIRQD-UHFFFAOYSA-N
XLogP3.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322484
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322483
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424
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
phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321456
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
1-(4-fluorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 92571611

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The IUPAC name of phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate (CID 110322337) is phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The canonical SMILES for phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate is O=C(NCc1nnc(-c2cccs2)o1)Oc1ccccc1.
What is the InChIKey of phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The InChIKey is BIYWFUKSDNIRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-14(19-10-5-2-1-3-6-10)15-9-12-16-17-13(20-12)11-7-4-8-21-11/h1-8H,9H2,(H,15,18).
What are the key properties of phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate has a molecular weight of 301.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 110322337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).