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

C17H22FN3O3 — CID 118418714

IUPACtert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22FN3O3/c1-16(2,3)24-15(22)19-17(4,5)10-13-20-21-14(23-13)11-6-8-12(18)9-7-11/h6-9H,10H2,1-5H3,(H,19,22)
InChIKeySWPJCEOKTRVZRG-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.72
Rot. Bonds4

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

tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate (PubChem CID 118418714) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate
PubChem CID118418714
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Nametert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22FN3O3/c1-16(2,3)24-15(22)19-17(4,5)10-13-20-21-14(23-13)11-6-8-12(18)9-7-11/h6-9H,10H2,1-5H3,(H,19,22)
InChIKeySWPJCEOKTRVZRG-UHFFFAOYSA-N
XLogP3.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 62934626
4-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 55184922
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzamide
CID 110319111
tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate
CID 121308766
methyl 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822546
ethyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78793128
tert-butyl N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate
CID 126507716
tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 84818701
2-ethyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 110319098
1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea
CID 110319164
(3R)-4-[5-[4-(4-chlorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118191712
4-[5-[4-(4-chlorophenoxy)phenyl]-1,3,4-oxadiazol-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118166569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate (CID 118418714) is tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate is CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate?
The InChIKey is SWPJCEOKTRVZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-16(2,3)24-15(22)19-17(4,5)10-13-20-21-14(23-13)11-6-8-12(18)9-7-11/h6-9H,10H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate has a molecular weight of 335.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 118418714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).