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

C15H19N3O3 — CID 122163510

IUPACtert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)c1nnco1
InChIInChI=1S/C15H19N3O3/c1-15(2,3)21-14(19)17-12(13-18-16-10-20-13)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,19)
InChIKeySPXJDZFYWKXKHP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.88
Rot. Bonds4

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

tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate (PubChem CID 122163510) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
PubChem CID122163510
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nametert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)c1nnco1
InChIInChI=1S/C15H19N3O3/c1-15(2,3)21-14(19)17-12(13-18-16-10-20-13)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,19)
InChIKeySPXJDZFYWKXKHP-UHFFFAOYSA-N
XLogP2.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)-2-phenylethyl]carbamate
CID 123235761
5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3-oxazole-4-carboxylic acid
CID 91758148
tert-butyl N-[(1R)-2-phenyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamate
CID 947210
2-[[5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 666348
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
CID 74510096
tert-butyl N-[1-[5-(3-methylbut-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
CID 3847468
tert-butyl N-[(1R)-1-(4-cyanophenyl)-2-phenylethyl]carbamate
CID 102141553
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
tert-butyl N-[1-(1H-imidazol-2-yl)-2-phenylethyl]carbamate
CID 76693816
1,5-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]imidazole-4-carboxylic acid
CID 101190216
tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate
CID 101394448

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate (CID 122163510) is tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)c1nnco1.
What is the InChIKey of tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate?
The InChIKey is SPXJDZFYWKXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,3)21-14(19)17-12(13-18-16-10-20-13)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate?
tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate has a molecular weight of 289.33 g/mol, XLogP of 2.88, 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-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate is sourced from PubChem (CID 122163510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).