N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide

C21H23N3O4 — CID 40603845

IUPACN-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)oc2c1
InChIInChI=1S/C21H23N3O4/c1-13(25)22-15-7-10-17-18(11-15)28-20(23-17)24-19(26)12-27-16-8-5-14(6-9-16)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24,26)
InChIKeyNMMGDHDYKSYSBM-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.10
Rot. Bonds5

About N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide

N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 40603845) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID40603845
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)oc2c1
InChIInChI=1S/C21H23N3O4/c1-13(25)22-15-7-10-17-18(11-15)28-20(23-17)24-19(26)12-27-16-8-5-14(6-9-16)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24,26)
InChIKeyNMMGDHDYKSYSBM-UHFFFAOYSA-N
XLogP4.10
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40607430
N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide
CID 952763
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
2-(4-tert-butylphenoxy)-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3421834
N-[6-(methylamino)-1,3-benzoxazol-2-yl]acetamide
CID 143984517
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23960858
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-(4-tert-butylphenoxy)acetamide
CID 21211486
2-(4-tert-butylphenoxy)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721135
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide (CID 40603845) is N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide is CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)oc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is NMMGDHDYKSYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(25)22-15-7-10-17-18(11-15)28-20(23-17)24-19(26)12-27-16-8-5-14(6-9-16)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24,26).
What are the key properties of N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide?
N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 381.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 40603845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).