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

C16H21N3O3 — CID 101095799

IUPACtert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H21N3O3/c1-15(2,3)21-14(20)18-16(4,5)13-17-12(19-22-13)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,18,20)
InChIKeyMKJRVRMHFLUODM-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.50
Rot. Bonds3

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

tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate (PubChem CID 101095799) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate
PubChem CID101095799
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nametert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H21N3O3/c1-15(2,3)21-14(20)18-16(4,5)13-17-12(19-22-13)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,18,20)
InChIKeyMKJRVRMHFLUODM-UHFFFAOYSA-N
XLogP3.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate
CID 122581775
N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide
CID 167750655
tert-butyl N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate;methane;9-oxo-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]-10H-acridine-3-carboxamide
CID 157407070
tert-butyl N-[2-[3-[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate
CID 58095672
tert-butyl N-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]anilino]ethyl]carbamate
CID 153313572
tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate
CID 71605067
tert-butyl N-[difluoro-(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]carbamate
CID 158823736
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 154838471
4-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]benzamide
CID 134337628
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
CID 57202777
tert-butyl N-[2-[3-[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate;2-[3-[4-[(1R,2S)-2-[4-(pyridin-2-ylmethoxy)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 157246607

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate (CID 101095799) is tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1nc(-c2ccccc2)no1.
What is the InChIKey of tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate?
The InChIKey is MKJRVRMHFLUODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-15(2,3)21-14(20)18-16(4,5)13-17-12(19-22-13)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate?
tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate has a molecular weight of 303.36 g/mol, XLogP of 3.50, 3 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-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 101095799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).