2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid

C18H20N2O4 — CID 120515623

IUPAC2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid
SMILESCc1nc(C(=O)N2CCC(CC(=O)O)CC2)c(-c2ccccc2)o1
InChIInChI=1S/C18H20N2O4/c1-12-19-16(17(24-12)14-5-3-2-4-6-14)18(23)20-9-7-13(8-10-20)11-15(21)22/h2-6,13H,7-11H2,1H3,(H,21,22)
InChIKeyPUSHLFRTXPKVKM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.98
Rot. Bonds4

About 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid

2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 120515623) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid
PubChem CID120515623
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid
SMILESCc1nc(C(=O)N2CCC(CC(=O)O)CC2)c(-c2ccccc2)o1
InChIInChI=1S/C18H20N2O4/c1-12-19-16(17(24-12)14-5-3-2-4-6-14)18(23)20-9-7-13(8-10-20)11-15(21)22/h2-6,13H,7-11H2,1H3,(H,21,22)
InChIKeyPUSHLFRTXPKVKM-UHFFFAOYSA-N
XLogP2.98
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid (CID 120515623) is 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid is Cc1nc(C(=O)N2CCC(CC(=O)O)CC2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is PUSHLFRTXPKVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-19-16(17(24-12)14-5-3-2-4-6-14)18(23)20-9-7-13(8-10-20)11-15(21)22/h2-6,13H,7-11H2,1H3,(H,21,22).
What are the key properties of 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 120515623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).