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

C18H16FN3O3 — CID 110323449

IUPACbenzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESO=C(NCCc1nc(-c2ccccc2F)no1)OCc1ccccc1
InChIInChI=1S/C18H16FN3O3/c19-15-9-5-4-8-14(15)17-21-16(25-22-17)10-11-20-18(23)24-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23)
InChIKeyHKGFTSXHCGPTPX-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.34
Rot. Bonds6

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

benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (PubChem CID 110323449) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
PubChem CID110323449
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Namebenzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESO=C(NCCc1nc(-c2ccccc2F)no1)OCc1ccccc1
InChIInChI=1S/C18H16FN3O3/c19-15-9-5-4-8-14(15)17-21-16(25-22-17)10-11-20-18(23)24-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23)
InChIKeyHKGFTSXHCGPTPX-UHFFFAOYSA-N
XLogP3.34
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110324084
2-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323403
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 110323445
2,4-dichloro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323451
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate
CID 68718683
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 110330721
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 110330727
tert-butyl N-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 170553351

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (CID 110323449) is benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is O=C(NCCc1nc(-c2ccccc2F)no1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The InChIKey is HKGFTSXHCGPTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-15-9-5-4-8-14(15)17-21-16(25-22-17)10-11-20-18(23)24-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,23).
What are the key properties of benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate has a molecular weight of 341.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 110323449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).