cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

C14H21NO3 — CID 78791702

IUPACcyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
SMILESCc1noc(C)c1CCC(=O)OC1CCCCC1
InChIInChI=1S/C14H21NO3/c1-10-13(11(2)18-15-10)8-9-14(16)17-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3
InChIKeyRRIYOOPNWHJPJO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.10
Rot. Bonds4

About cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate (PubChem CID 78791702) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate.

Molecular Properties

Compound Namecyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
PubChem CID78791702
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namecyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
SMILESCc1noc(C)c1CCC(=O)OC1CCCCC1
InChIInChI=1S/C14H21NO3/c1-10-13(11(2)18-15-10)8-9-14(16)17-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3
InChIKeyRRIYOOPNWHJPJO-UHFFFAOYSA-N
XLogP3.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
CID 154841642
cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate
CID 94946067
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421365
1-(3-cyclohexyloxypropyl)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylguanidine
CID 111768401
cyclohexyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 78802072
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]propan-1-one
CID 97313178
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 119632114
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The IUPAC name of cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate (CID 78791702) is cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate.
What is the SMILES notation for cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The canonical SMILES for cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate is Cc1noc(C)c1CCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The InChIKey is RRIYOOPNWHJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-13(11(2)18-15-10)8-9-14(16)17-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3.
What are the key properties of cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate has a molecular weight of 251.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate is sourced from PubChem (CID 78791702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).