4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide

C25H28ClN3O4 — CID 59486627

IUPAC4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)N(O)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)c(-c3ccc(CO)cc3)o2)CC1
InChIInChI=1S/C25H28ClN3O4/c1-16(2)29(32)25(31)28-13-11-20(12-14-28)24-27-22(18-7-9-21(26)10-8-18)23(33-24)19-5-3-17(15-30)4-6-19/h3-10,16,20,30,32H,11-15H2,1-2H3
InChIKeyZFLRXOJHBJICBB-UHFFFAOYSA-N
MW469.97 g/mol
LogP5.55
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide

4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59486627) has the molecular formula C25H28ClN3O4 and a molecular weight of 469.97 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID59486627
Molecular FormulaC25H28ClN3O4
Molecular Weight469.97 g/mol
Exact Mass469.18
IUPAC Name4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)N(O)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)c(-c3ccc(CO)cc3)o2)CC1
InChIInChI=1S/C25H28ClN3O4/c1-16(2)29(32)25(31)28-13-11-20(12-14-28)24-27-22(18-7-9-21(26)10-8-18)23(33-24)19-5-3-17(15-30)4-6-19/h3-10,16,20,30,32H,11-15H2,1-2H3
InChIKeyZFLRXOJHBJICBB-UHFFFAOYSA-N
XLogP5.55
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[[(1S)-1-[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid
CID 127044159
n-[2-(4-Chlorophenyl)ethyl]-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 16007944
1-[[3-[[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea
CID 10834115
2-[4-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-5-yl]-N-propan-2-ylacetamide
CID 86581311
2-[5-(3-chlorophenyl)-2-[4-(2-piperidin-1-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
CID 90370383
2-[5-(3-chlorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-oxazol-4-yl]-N-propan-2-ylacetamide
CID 90370400
3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide
CID 177380557
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 6622189
1-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methyl}-N-(4-phenylbutan-2-YL)piperidine-4-carboxamide
CID 6622240
N-[(2-Chlorophenyl)methyl]-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-YL]methyl}piperidine-4-carboxamide
CID 20859854
N-[(4-Chlorophenyl)methyl]-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-YL]methyl}piperidine-3-carboxamide
CID 20859963
3-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methyl}-5-(2-hydroxyethyl)-6-methyl-2-phenyl-3,4-dihydropyrimidin-4-one
CID 91911996

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide (CID 59486627) is 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide is CC(C)N(O)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)c(-c3ccc(CO)cc3)o2)CC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is ZFLRXOJHBJICBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4/c1-16(2)29(32)25(31)28-13-11-20(12-14-28)24-27-22(18-7-9-21(26)10-8-18)23(33-24)19-5-3-17(15-30)4-6-19/h3-10,16,20,30,32H,11-15H2,1-2H3.
What are the key properties of 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 469.97 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59486627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).