N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide

C23H20N2O4 — CID 135645547

IUPACN-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C23H20N2O4/c1-14-6-5-7-17(10-14)28-13-21(26)24-16-11-15(2)22(27)18(12-16)23-25-19-8-3-4-9-20(19)29-23/h3-12,27H,13H2,1-2H3,(H,24,26)
InChIKeyIAXJUEDCLYBXPO-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.83
Rot. Bonds5

About N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide

N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 135645547) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide
PubChem CID135645547
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C23H20N2O4/c1-14-6-5-7-17(10-14)28-13-21(26)24-16-11-15(2)22(27)18(12-16)23-25-19-8-3-4-9-20(19)29-23/h3-12,27H,13H2,1-2H3,(H,24,26)
InChIKeyIAXJUEDCLYBXPO-UHFFFAOYSA-N
XLogP4.83
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-phenoxyacetamide
CID 1123594
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 23741815
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide
CID 135416435
2-(3-methylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 7325875
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 2282003
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
CID 1362317
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 3646973
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
N-[[4-(1,3-benzoxazol-2-ylmethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 54859519
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide (CID 135645547) is N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is IAXJUEDCLYBXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-6-5-7-17(10-14)28-13-21(26)24-16-11-15(2)22(27)18(12-16)23-25-19-8-3-4-9-20(19)29-23/h3-12,27H,13H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide?
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 388.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 135645547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).