tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate

C23H28N4O6S — CID 167528268

IUPACtert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate
SMILESCOc1cc(OCCN(C)C(=O)OC(C)(C)C)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C23H28N4O6S/c1-23(2,3)33-22(29)27(4)10-11-31-15-8-9-16(17(13-15)30-5)20(28)24-14-19-25-26-21(32-19)18-7-6-12-34-18/h6-9,12-13H,10-11,14H2,1-5H3,(H,24,28)
InChIKeyOGUQPAQHPTXUQD-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.98
Rot. Bonds9

About tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate

tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate (PubChem CID 167528268) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate
PubChem CID167528268
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC Nametert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate
SMILESCOc1cc(OCCN(C)C(=O)OC(C)(C)C)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C23H28N4O6S/c1-23(2,3)33-22(29)27(4)10-11-31-15-8-9-16(17(13-15)30-5)20(28)24-14-19-25-26-21(32-19)18-7-6-12-34-18/h6-9,12-13H,10-11,14H2,1-5H3,(H,24,28)
InChIKeyOGUQPAQHPTXUQD-UHFFFAOYSA-N
XLogP3.98
TPSA116.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110322438
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9375414
phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110320093
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719
2-methoxy-4-morpholin-4-yl-N-[[5-(1,3-thiazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 162506115
2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
CID 142893891
1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 17443233
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322358
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate (CID 167528268) is tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate is COc1cc(OCCN(C)C(=O)OC(C)(C)C)ccc1C(=O)NCc1nnc(-c2cccs2)o1.
What is the InChIKey of tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate?
The InChIKey is OGUQPAQHPTXUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-23(2,3)33-22(29)27(4)10-11-31-15-8-9-16(17(13-15)30-5)20(28)24-14-19-25-26-21(32-19)18-7-6-12-34-18/h6-9,12-13H,10-11,14H2,1-5H3,(H,24,28).
What are the key properties of tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate has a molecular weight of 488.57 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylcarbamoyl]phenoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 167528268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).