1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid

C14H20N2O5 — CID 43360712

IUPAC1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CCCCCC2)no1
InChIInChI=1S/C14H20N2O5/c1-10-8-12(16-21-10)20-9-11(17)15-14(13(18)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyPLBNQFFCWUTIQK-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.66
Rot. Bonds5

About 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid

1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 43360712) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid
PubChem CID43360712
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid
SMILESCc1cc(OCC(=O)NC2(C(=O)O)CCCCCC2)no1
InChIInChI=1S/C14H20N2O5/c1-10-8-12(16-21-10)20-9-11(17)15-14(13(18)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyPLBNQFFCWUTIQK-UHFFFAOYSA-N
XLogP1.66
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid (CID 43360712) is 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid is Cc1cc(OCC(=O)NC2(C(=O)O)CCCCCC2)no1.
What is the InChIKey of 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is PLBNQFFCWUTIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10-8-12(16-21-10)20-9-11(17)15-14(13(18)19)6-4-2-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid?
1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43360712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).