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

C17H15N3O3S — CID 90608057

IUPACbenzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate
SMILESO=C(Nc1ccsc1-c1nc(C2CC2)no1)OCc1ccccc1
InChIInChI=1S/C17H15N3O3S/c21-17(22-10-11-4-2-1-3-5-11)18-13-8-9-24-14(13)16-19-15(20-23-16)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,18,21)
InChIKeyAKXLZKWSFZFQHZ-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.42
Rot. Bonds5

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

benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate (PubChem CID 90608057) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate
PubChem CID90608057
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Namebenzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate
SMILESO=C(Nc1ccsc1-c1nc(C2CC2)no1)OCc1ccccc1
InChIInChI=1S/C17H15N3O3S/c21-17(22-10-11-4-2-1-3-5-11)18-13-8-9-24-14(13)16-19-15(20-23-16)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,18,21)
InChIKeyAKXLZKWSFZFQHZ-UHFFFAOYSA-N
XLogP4.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide
CID 90608029
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyrimidine-2-carboxamide
CID 90608082
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-indol-1-ylacetamide
CID 90607818
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pent-4-enamide
CID 90607851
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90607987
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(trifluoromethoxy)benzamide
CID 90608061
3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-diethoxybenzamide
CID 90607900
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90607850

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate?
The IUPAC name of benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate (CID 90608057) is benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate?
The canonical SMILES for benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate is O=C(Nc1ccsc1-c1nc(C2CC2)no1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate?
The InChIKey is AKXLZKWSFZFQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-17(22-10-11-4-2-1-3-5-11)18-13-8-9-24-14(13)16-19-15(20-23-16)12-6-7-12/h1-5,8-9,12H,6-7,10H2,(H,18,21).
What are the key properties of benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate?
benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate has a molecular weight of 341.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate is sourced from PubChem (CID 90608057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).