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

C12H17NO3 — CID 10857080

IUPAC2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1oc(C2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C12H17NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,15)
InChIKeyMMDWSADAQQWYMT-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.66
Rot. Bonds3

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

2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 10857080) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid
PubChem CID10857080
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1oc(C2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C12H17NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,15)
InChIKeyMMDWSADAQQWYMT-UHFFFAOYSA-N
XLogP2.66
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid (CID 10857080) is 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid is Cc1oc(C2CCCCC2)nc1CC(=O)O.
What is the InChIKey of 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is MMDWSADAQQWYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 223.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 10857080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).