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

C16H25NO3 — CID 154841642

IUPAC(3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
SMILESCc1noc(C)c1CCC(=O)OC1CCCC(C)(C)C1
InChIInChI=1S/C16H25NO3/c1-11-14(12(2)20-17-11)7-8-15(18)19-13-6-5-9-16(3,4)10-13/h13H,5-10H2,1-4H3
InChIKeyAAFNJYOGIIEIKG-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.74
Rot. Bonds4

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

(3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate (PubChem CID 154841642) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate.

Molecular Properties

Compound Name(3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
PubChem CID154841642
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
SMILESCc1noc(C)c1CCC(=O)OC1CCCC(C)(C)C1
InChIInChI=1S/C16H25NO3/c1-11-14(12(2)20-17-11)7-8-15(18)19-13-6-5-9-16(3,4)10-13/h13H,5-10H2,1-4H3
InChIKeyAAFNJYOGIIEIKG-UHFFFAOYSA-N
XLogP3.74
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
CID 78791702
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
(3,3-dimethylcyclohexyl) propanoate
CID 12653241
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65123959
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125632
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 97210246
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-azaspiro[3.4]octane-3-carboxylic acid
CID 126833542
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421365
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propan-1-one
CID 70754765
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351070
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

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The IUPAC name of (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate (CID 154841642) is (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate.
What is the SMILES notation for (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The canonical SMILES for (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate is Cc1noc(C)c1CCC(=O)OC1CCCC(C)(C)C1.
What is the InChIKey of (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The InChIKey is AAFNJYOGIIEIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-14(12(2)20-17-11)7-8-15(18)19-13-6-5-9-16(3,4)10-13/h13H,5-10H2,1-4H3.
What are the key properties of (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
(3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate has a molecular weight of 279.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate is sourced from PubChem (CID 154841642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).