N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C23H25N3O4 — CID 55620329

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCC(C)(C)c1nc2cc(NC(=O)COc3ccc(N4CCCC4=O)cc3)ccc2o1
InChIInChI=1S/C23H25N3O4/c1-23(2,3)22-25-18-13-15(6-11-19(18)30-22)24-20(27)14-29-17-9-7-16(8-10-17)26-12-4-5-21(26)28/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,27)
InChIKeyUQBCXKLGMBYFGG-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.27
Rot. Bonds5

About N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 55620329) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID55620329
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCC(C)(C)c1nc2cc(NC(=O)COc3ccc(N4CCCC4=O)cc3)ccc2o1
InChIInChI=1S/C23H25N3O4/c1-23(2,3)22-25-18-13-15(6-11-19(18)30-22)24-20(27)14-29-17-9-7-16(8-10-17)26-12-4-5-21(26)28/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,27)
InChIKeyUQBCXKLGMBYFGG-UHFFFAOYSA-N
XLogP4.27
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
N-(9H-fluoren-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26781987
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27446201
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 134041001
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 55620329) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is CC(C)(C)c1nc2cc(NC(=O)COc3ccc(N4CCCC4=O)cc3)ccc2o1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is UQBCXKLGMBYFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-23(2,3)22-25-18-13-15(6-11-19(18)30-22)24-20(27)14-29-17-9-7-16(8-10-17)26-12-4-5-21(26)28/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,27).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 407.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 55620329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).