tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate

C18H17BrN4O4 — CID 135429409

IUPACtert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2noc(-c3cc(Br)ccc3O)n2)nc1
InChIInChI=1S/C18H17BrN4O4/c1-18(2,3)26-17(25)21-11-5-6-13(20-9-11)15-22-16(27-23-15)12-8-10(19)4-7-14(12)24/h4-9,24H,1-3H3,(H,21,25)
InChIKeyVBXSRBHTQRHCPA-UHFFFAOYSA-N
MW433.26 g/mol
LogP4.61
Rot. Bonds3

About tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate

tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate (PubChem CID 135429409) has the molecular formula C18H17BrN4O4 and a molecular weight of 433.26 g/mol. Its IUPAC name is tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
PubChem CID135429409
Molecular FormulaC18H17BrN4O4
Molecular Weight433.26 g/mol
Exact Mass432.04
IUPAC Nametert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2noc(-c3cc(Br)ccc3O)n2)nc1
InChIInChI=1S/C18H17BrN4O4/c1-18(2,3)26-17(25)21-11-5-6-13(20-9-11)15-22-16(27-23-15)12-8-10(19)4-7-14(12)24/h4-9,24H,1-3H3,(H,21,25)
InChIKeyVBXSRBHTQRHCPA-UHFFFAOYSA-N
XLogP4.61
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 137028383
4-bromo-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701140
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[2-[3-(6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-benzothiophen-5-yl]carbamate
CID 166324994
tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 67026126
4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate (CID 135429409) is tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2noc(-c3cc(Br)ccc3O)n2)nc1.
What is the InChIKey of tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate?
The InChIKey is VBXSRBHTQRHCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O4/c1-18(2,3)26-17(25)21-11-5-6-13(20-9-11)15-22-16(27-23-15)12-8-10(19)4-7-14(12)24/h4-9,24H,1-3H3,(H,21,25).
What are the key properties of tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate?
tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate has a molecular weight of 433.26 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 135429409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).