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

C18H18N4O3 — CID 67026126

IUPACtert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C18H18N4O3/c1-18(2,3)24-17(23)20-14-8-4-6-12(10-14)16-21-15(22-25-16)13-7-5-9-19-11-13/h4-11H,1-3H3,(H,20,23)
InChIKeySXUHXSCHSBRLRY-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.15
Rot. Bonds3

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

tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (PubChem CID 67026126) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
PubChem CID67026126
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Nametert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C18H18N4O3/c1-18(2,3)24-17(23)20-14-8-4-6-12(10-14)16-21-15(22-25-16)13-7-5-9-19-11-13/h4-11H,1-3H3,(H,20,23)
InChIKeySXUHXSCHSBRLRY-UHFFFAOYSA-N
XLogP4.15
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 4972613
tert-butyl N-[3-[3-[(2,6-difluoro-4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]carbamate
CID 162722034
tert-butyl N-[3-[3-[(2,6-difluoro-4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]carbamate;formaldehyde
CID 162722033
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489516
methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
CID 57202777
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967
tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 137028383
tert-butyl N-[3-[3-[(4-ethenyl-2,6-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]carbamate;ethane
CID 162722736
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (CID 67026126) is tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(-c2nc(-c3cccnc3)no2)c1.
What is the InChIKey of tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The InChIKey is SXUHXSCHSBRLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-18(2,3)24-17(23)20-14-8-4-6-12(10-14)16-21-15(22-25-16)13-7-5-9-19-11-13/h4-11H,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate has a molecular weight of 338.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 67026126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).