N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

C23H20N2O4 — CID 143486845

IUPACN-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3c(o2)CC=CC(O)=C3)cc1
InChIInChI=1S/C23H20N2O4/c1-15-5-2-3-7-20(15)28-14-22(27)24-17-11-9-16(10-12-17)23-25-19-13-18(26)6-4-8-21(19)29-23/h2-7,9-13,26H,8,14H2,1H3,(H,24,27)
InChIKeyCNPOGGHCYGNCQW-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.68
Rot. Bonds5

About N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 143486845) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID143486845
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3c(o2)CC=CC(O)=C3)cc1
InChIInChI=1S/C23H20N2O4/c1-15-5-2-3-7-20(15)28-14-22(27)24-17-11-9-16(10-12-17)23-25-19-13-18(26)6-4-8-21(19)29-23/h2-7,9-13,26H,8,14H2,1H3,(H,24,27)
InChIKeyCNPOGGHCYGNCQW-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
N-[4-(5-bromo-4-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 46226016
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-[4-[4-(2,5-dimethylphenyl)-1,3-oxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 46392793
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16581002
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
CID 110732601
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
2-(2-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1231037
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 143486845) is N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3c(o2)CC=CC(O)=C3)cc1.
What is the InChIKey of N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is CNPOGGHCYGNCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-5-2-3-7-20(15)28-14-22(27)24-17-11-9-16(10-12-17)23-25-19-13-18(26)6-4-8-21(19)29-23/h2-7,9-13,26H,8,14H2,1H3,(H,24,27).
What are the key properties of N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 388.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-hydroxy-8H-cyclohepta[d][1,3]oxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 143486845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).