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

C14H20N2O5 — CID 64672346

IUPAC2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid
SMILESCc1cc(OCC(=O)NC2(CC(=O)O)CCCCC2)no1
InChIInChI=1S/C14H20N2O5/c1-10-7-12(16-21-10)20-9-11(17)15-14(8-13(18)19)5-3-2-4-6-14/h7H,2-6,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeySBKAEVLKSHTGMJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.66
Rot. Bonds6

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

2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid (PubChem CID 64672346) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid
PubChem CID64672346
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid
SMILESCc1cc(OCC(=O)NC2(CC(=O)O)CCCCC2)no1
InChIInChI=1S/C14H20N2O5/c1-10-7-12(16-21-10)20-9-11(17)15-14(8-13(18)19)5-3-2-4-6-14/h7H,2-6,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKeySBKAEVLKSHTGMJ-UHFFFAOYSA-N
XLogP1.66
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid (CID 64672346) is 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid is Cc1cc(OCC(=O)NC2(CC(=O)O)CCCCC2)no1.
What is the InChIKey of 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is SBKAEVLKSHTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10-7-12(16-21-10)20-9-11(17)15-14(8-13(18)19)5-3-2-4-6-14/h7H,2-6,8-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid?
2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64672346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).