N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide

C25H24N2O3 — CID 17018342

IUPACN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)oc2c1
InChIInChI=1S/C25H24N2O3/c1-16(2)18-7-11-21(12-8-18)29-15-24(28)26-20-9-5-19(6-10-20)25-27-22-13-4-17(3)14-23(22)30-25/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKeyJHOIZGUQEZTPSM-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.94
Rot. Bonds6

About N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 17018342) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID17018342
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)oc2c1
InChIInChI=1S/C25H24N2O3/c1-16(2)18-7-11-21(12-8-18)29-15-24(28)26-20-9-5-19(6-10-20)25-27-22-13-4-17(3)14-23(22)30-25/h4-14,16H,15H2,1-3H3,(H,26,28)
InChIKeyJHOIZGUQEZTPSM-UHFFFAOYSA-N
XLogP5.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17027171
2-(4-chlorophenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3498048
2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 7325875
2-phenoxy-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1324569
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987
2-(4-butan-2-ylphenoxy)-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 22782315
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 22782318
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 17110571
2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2286309

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 17018342) is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide is Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)oc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is JHOIZGUQEZTPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16(2)18-7-11-21(12-8-18)29-15-24(28)26-20-9-5-19(6-10-20)25-27-22-13-4-17(3)14-23(22)30-25/h4-14,16H,15H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 400.48 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17018342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).