4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide

C25H29N3O5 — CID 59486654

IUPAC4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(C)OC)CC3)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O5/c1-27(32-4)25(29)28-15-13-19(14-16-28)24-26-22(17-5-9-20(30-2)10-6-17)23(33-24)18-7-11-21(31-3)12-8-18/h5-12,19H,13-16H2,1-4H3
InChIKeyXBGVZCGRKYCUEC-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.82
Rot. Bonds6

About 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide

4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide (PubChem CID 59486654) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide
PubChem CID59486654
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(C)OC)CC3)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O5/c1-27(32-4)25(29)28-15-13-19(14-16-28)24-26-22(17-5-9-20(30-2)10-6-17)23(33-24)18-7-11-21(31-3)12-8-18/h5-12,19H,13-16H2,1-4H3
InChIKeyXBGVZCGRKYCUEC-UHFFFAOYSA-N
XLogP4.82
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031755
N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 59486528
4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486965
2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid
CID 59486667
N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59486882
4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 59486680
N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 59486748
N-ethyl-N-hydroxy-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 59487060
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 42760461
4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 59486627
tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 59486870
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole
CID 59486762

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide (CID 59486654) is 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide is COc1ccc(-c2nc(C3CCN(C(=O)N(C)OC)CC3)oc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide?
The InChIKey is XBGVZCGRKYCUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-27(32-4)25(29)28-15-13-19(14-16-28)24-26-22(17-5-9-20(30-2)10-6-17)23(33-24)18-7-11-21(31-3)12-8-18/h5-12,19H,13-16H2,1-4H3.
What are the key properties of 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide?
4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 59486654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).