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

C15H18FN3O3 — CID 171336753

IUPACtert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3O3/c1-15(2,3)21-14(20)17-9-8-12-18-13(19-22-12)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyXIRLYEQNPSJIPS-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.94
Rot. Bonds4

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

tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (PubChem CID 171336753) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
PubChem CID171336753
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Nametert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3O3/c1-15(2,3)21-14(20)17-9-8-12-18-13(19-22-12)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyXIRLYEQNPSJIPS-UHFFFAOYSA-N
XLogP2.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83279519
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8948397
tert-butyl N-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 170553351
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83289765
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647155
tert-butyl N-[2-[2-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethyl]carbamate
CID 170522309
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526
N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-carboxamide
CID 83289766
N-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51310068

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (CID 171336753) is tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The InChIKey is XIRLYEQNPSJIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-15(2,3)21-14(20)17-9-8-12-18-13(19-22-12)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate has a molecular weight of 307.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 171336753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).