(Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid

C25H30ClN3O4Si — CID 90374214

IUPAC(Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCc1nnc(-c2cnc(/C(=C\C(=O)O)CCc3ccccc3)c(Cl)c2)o1
InChIInChI=1S/C25H30ClN3O4Si/c1-25(2,3)34(4,5)32-16-21-28-29-24(33-21)19-13-20(26)23(27-15-19)18(14-22(30)31)12-11-17-9-7-6-8-10-17/h6-10,13-15H,11-12,16H2,1-5H3,(H,30,31)/b18-14-
InChIKeyITTRKJWGOGHPKP-JXAWBTAJSA-N
MW500.07 g/mol
LogP6.41
Rot. Bonds9

About (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid

(Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid (PubChem CID 90374214) has the molecular formula C25H30ClN3O4Si and a molecular weight of 500.07 g/mol. Its IUPAC name is (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid
PubChem CID90374214
Molecular FormulaC25H30ClN3O4Si
Molecular Weight500.07 g/mol
Exact Mass499.17
IUPAC Name(Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCc1nnc(-c2cnc(/C(=C\C(=O)O)CCc3ccccc3)c(Cl)c2)o1
InChIInChI=1S/C25H30ClN3O4Si/c1-25(2,3)34(4,5)32-16-21-28-29-24(33-21)19-13-20(26)23(27-15-19)18(14-22(30)31)12-11-17-9-7-6-8-10-17/h6-10,13-15H,11-12,16H2,1-5H3,(H,30,31)/b18-14-
InChIKeyITTRKJWGOGHPKP-JXAWBTAJSA-N
XLogP6.41
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.07
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]but-2-enoic acid;(E)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]prop-2-enoic acid
CID 162056940
(E)-4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-2-chlorophenyl]pent-3-en-2-one;(E)-4-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]pent-3-en-2-one
CID 159989517
benzyl (E)-3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-2-chlorophenyl]but-2-enoate
CID 90374190
tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane
CID 90374051
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloropyridine-2-carboxylic acid
CID 141255252
[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-(5,6-dichloro-3-pyridinyl)methanone
CID 86732548
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
CID 159418209
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
(E)-3-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)but-2-enamide
CID 90380906
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid?
The IUPAC name of (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid (CID 90374214) is (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid.
What is the SMILES notation for (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid?
The canonical SMILES for (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid is CC(C)(C)[Si](C)(C)OCc1nnc(-c2cnc(/C(=C\C(=O)O)CCc3ccccc3)c(Cl)c2)o1.
What is the InChIKey of (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid?
The InChIKey is ITTRKJWGOGHPKP-JXAWBTAJSA-N. The full InChI is InChI=1S/C25H30ClN3O4Si/c1-25(2,3)34(4,5)32-16-21-28-29-24(33-21)19-13-20(26)23(27-15-19)18(14-22(30)31)12-11-17-9-7-6-8-10-17/h6-10,13-15H,11-12,16H2,1-5H3,(H,30,31)/b18-14-.
What are the key properties of (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid?
(Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid has a molecular weight of 500.07 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-oxadiazol-2-yl]-3-chloro-2-pyridinyl]-5-phenylpent-2-enoic acid is sourced from PubChem (CID 90374214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).