2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid

C16H25NO3 — CID 104842337

IUPAC2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C2CCC(C(C)(C)C)CC2)oc1C(=O)O
InChIInChI=1S/C16H25NO3/c1-5-12-13(15(18)19)20-14(17-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKeyMQCPSYPAFYAWMN-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.26
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid

2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (PubChem CID 104842337) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
PubChem CID104842337
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(C2CCC(C(C)(C)C)CC2)oc1C(=O)O
InChIInChI=1S/C16H25NO3/c1-5-12-13(15(18)19)20-14(17-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKeyMQCPSYPAFYAWMN-UHFFFAOYSA-N
XLogP4.26
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551
4-ethyl-2-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-oxazole-5-carboxylic acid
CID 114097257
2-(7-bicyclo[4.1.0]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842353
4-ethyl-2-[(2R,3R)-2-methyloxolan-3-yl]-1,3-oxazole-5-carboxylic acid
CID 124597917
4-ethyl-2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-5-carboxylic acid
CID 104842470
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
4-(2-methylpropyl)-2-(oxan-4-yl)-1,3-oxazole-5-carboxylic acid
CID 114374696
5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510773
4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62718559
2-(1-cyclopropylethyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842413
4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 83673039

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (CID 104842337) is 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is CCc1nc(C2CCC(C(C)(C)C)CC2)oc1C(=O)O.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is MQCPSYPAFYAWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-12-13(15(18)19)20-14(17-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).