(4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

C19H23NO3 — CID 55368439

IUPAC(4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCc1noc(C)c1CC(=O)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H23NO3/c1-13-18(14(2)23-20-13)12-19(21)22-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3
InChIKeyKRJKFKUECGHJSC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.49
Rot. Bonds4

About (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate

(4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (PubChem CID 55368439) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Name(4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
PubChem CID55368439
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
SMILESCc1noc(C)c1CC(=O)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H23NO3/c1-13-18(14(2)23-20-13)12-19(21)22-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3
InChIKeyKRJKFKUECGHJSC-UHFFFAOYSA-N
XLogP4.49
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenylcyclohexyl)acetamide
CID 51646513
[3-(4-cyclohexylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82371560
(1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 90538252
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
(4-cyclopentylphenyl) ethyl carbonate
CID 152547473
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]ethanone
CID 97313180
N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylacetamide
CID 52551442
cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
CID 78791702
2-(5-cyclopentyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 105462752
N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119261110
methyl 2-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)acetate
CID 162373149
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634876

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate (CID 55368439) is (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is Cc1noc(C)c1CC(=O)Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is KRJKFKUECGHJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-18(14(2)23-20-13)12-19(21)22-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3.
What are the key properties of (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate?
(4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 313.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 55368439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).