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

C13H19NO3 — CID 13282960

IUPAC2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1oc(C2CCCCCC2)nc1CC(=O)O
InChIInChI=1S/C13H19NO3/c1-9-11(8-12(15)16)14-13(17-9)10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,15,16)
InChIKeyKNYSULZXWSBQGQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.05
Rot. Bonds3

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

2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 13282960) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid
PubChem CID13282960
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1oc(C2CCCCCC2)nc1CC(=O)O
InChIInChI=1S/C13H19NO3/c1-9-11(8-12(15)16)14-13(17-9)10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,15,16)
InChIKeyKNYSULZXWSBQGQ-UHFFFAOYSA-N
XLogP3.05
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid (CID 13282960) is 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid is Cc1oc(C2CCCCCC2)nc1CC(=O)O.
What is the InChIKey of 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is KNYSULZXWSBQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-11(8-12(15)16)14-13(17-9)10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid?
2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 13282960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).