2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C15H22N2O4 — CID 65488707

IUPAC2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCc1noc(NC(=O)CC2(CC(=O)O)CCCCC2)c1C
InChIInChI=1S/C15H22N2O4/c1-10-11(2)17-21-14(10)16-12(18)8-15(9-13(19)20)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDPFCLHLTASSXCS-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.05
Rot. Bonds5

About 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 65488707) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID65488707
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCc1noc(NC(=O)CC2(CC(=O)O)CCCCC2)c1C
InChIInChI=1S/C15H22N2O4/c1-10-11(2)17-21-14(10)16-12(18)8-15(9-13(19)20)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDPFCLHLTASSXCS-UHFFFAOYSA-N
XLogP3.05
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 65488707) is 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is Cc1noc(NC(=O)CC2(CC(=O)O)CCCCC2)c1C.
What is the InChIKey of 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is DPFCLHLTASSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-11(2)17-21-14(10)16-12(18)8-15(9-13(19)20)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 65488707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).