2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid

C12H19NO3 — CID 129011598

IUPAC2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid
SMILESCC1(CC(=O)O)CC(C2CCCCC2)=NO1
InChIInChI=1S/C12H19NO3/c1-12(8-11(14)15)7-10(13-16-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeyDVKHJXNJCBMZJT-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid

2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid (PubChem CID 129011598) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid
PubChem CID129011598
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid
SMILESCC1(CC(=O)O)CC(C2CCCCC2)=NO1
InChIInChI=1S/C12H19NO3/c1-12(8-11(14)15)7-10(13-16-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeyDVKHJXNJCBMZJT-UHFFFAOYSA-N
XLogP2.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid (CID 129011598) is 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid is CC1(CC(=O)O)CC(C2CCCCC2)=NO1.
What is the InChIKey of 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The InChIKey is DVKHJXNJCBMZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(8-11(14)15)7-10(13-16-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid?
2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid has a molecular weight of 225.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 129011598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).