2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid

C25H27N3O7 — CID 59486667

IUPAC2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(O)CC(=O)O)CC3)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O7/c1-33-19-7-3-16(4-8-19)22-23(17-5-9-20(34-2)10-6-17)35-24(26-22)18-11-13-27(14-12-18)25(31)28(32)15-21(29)30/h3-10,18,32H,11-15H2,1-2H3,(H,29,30)
InChIKeyJSSWYQLREZAFTI-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.10
Rot. Bonds7

About 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid

2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid (PubChem CID 59486667) has the molecular formula C25H27N3O7 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid
PubChem CID59486667
Molecular FormulaC25H27N3O7
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(O)CC(=O)O)CC3)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O7/c1-33-19-7-3-16(4-8-19)22-23(17-5-9-20(34-2)10-6-17)35-24(26-22)18-11-13-27(14-12-18)25(31)28(32)15-21(29)30/h3-10,18,32H,11-15H2,1-2H3,(H,29,30)
InChIKeyJSSWYQLREZAFTI-UHFFFAOYSA-N
XLogP4.10
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid?
The IUPAC name of 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid (CID 59486667) is 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid.
What is the SMILES notation for 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid?
The canonical SMILES for 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid is COc1ccc(-c2nc(C3CCN(C(=O)N(O)CC(=O)O)CC3)oc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid?
The InChIKey is JSSWYQLREZAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O7/c1-33-19-7-3-16(4-8-19)22-23(17-5-9-20(34-2)10-6-17)35-24(26-22)18-11-13-27(14-12-18)25(31)28(32)15-21(29)30/h3-10,18,32H,11-15H2,1-2H3,(H,29,30).
What are the key properties of 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid?
2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid has a molecular weight of 481.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid is sourced from PubChem (CID 59486667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).