2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide

C26H30N2O3 — CID 71493818

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C26H30N2O3/c1-19-24(20(2)31-28-19)18-30-23-13-11-21(12-14-23)17-25(29)27-26(15-7-4-8-16-26)22-9-5-3-6-10-22/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,27,29)
InChIKeyHQBKNOBYZSATAS-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.39
Rot. Bonds7

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide (PubChem CID 71493818) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide
PubChem CID71493818
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C26H30N2O3/c1-19-24(20(2)31-28-19)18-30-23-13-11-21(12-14-23)17-25(29)27-26(15-7-4-8-16-26)22-9-5-3-6-10-22/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,27,29)
InChIKeyHQBKNOBYZSATAS-UHFFFAOYSA-N
XLogP5.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
CID 71493816
[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol
CID 111916814
N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119261110
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
N-[3-(aminomethyl)pentan-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119260778
N-(2,3-dimethylcyclohexyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 46539815
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(3,5-dimethylphenyl)acetamide
CID 7961030
4-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119357344

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide (CID 71493818) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide is Cc1noc(C)c1COc1ccc(CC(=O)NC2(c3ccccc3)CCCCC2)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide?
The InChIKey is HQBKNOBYZSATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-19-24(20(2)31-28-19)18-30-23-13-11-21(12-14-23)17-25(29)27-26(15-7-4-8-16-26)22-9-5-3-6-10-22/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide has a molecular weight of 418.54 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(1-phenylcyclohexyl)acetamide is sourced from PubChem (CID 71493818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).