1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C15H22N2O4 — CID 43588299

About 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43588299) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
• PubChem CID: 43588299
• Molecular Formula: C15H22N2O4
• Molecular Weight: 294.35 g/mol
• Exact Mass: 294.16
• IUPAC Name: 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
• SMILES: Cc1cc(CN(C)C(=O)CC2(C(=O)O)CCCCC2)no1
• InChI: InChI=1S/C15H22N2O4/c1-11-8-12(16-21-11)10-17(2)13(18)9-15(14(19)20)6-4-3-5-7-15/h8H,3-7,9-10H2,1-2H3,(H,19,20)
• InChIKey: IWQBSBHBOSKVNI-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 83.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.35
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?

The IUPAC name of 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43588299) is 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is Cc1cc(CN(C)C(=O)CC2(C(=O)O)CCCCC2)no1.

What is the InChIKey of 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?

The InChIKey is IWQBSBHBOSKVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-8-12(16-21-11)10-17(2)13(18)9-15(14(19)20)6-4-3-5-7-15/h8H,3-7,9-10H2,1-2H3,(H,19,20).

What are the key properties of 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?

1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43588299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).