methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate

C26H29N3O7 — CID 59486996

IUPACmethyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(c2nc(-c3ccc(OC)cc3)c(-c3cccc(OC)c3)o2)CCN(C(=O)N(C)O)CC1
InChIInChI=1S/C26H29N3O7/c1-28(32)25(31)29-14-12-26(13-15-29,24(30)35-4)23-27-21(17-8-10-19(33-2)11-9-17)22(36-23)18-6-5-7-20(16-18)34-3/h5-11,16,32H,12-15H2,1-4H3
InChIKeyQRCVDJZHNBOCDD-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.97
Rot. Bonds6

About methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate

methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate (PubChem CID 59486996) has the molecular formula C26H29N3O7 and a molecular weight of 495.53 g/mol. Its IUPAC name is methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
PubChem CID59486996
Molecular FormulaC26H29N3O7
Molecular Weight495.53 g/mol
Exact Mass495.20
IUPAC Namemethyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(c2nc(-c3ccc(OC)cc3)c(-c3cccc(OC)c3)o2)CCN(C(=O)N(C)O)CC1
InChIInChI=1S/C26H29N3O7/c1-28(32)25(31)29-14-12-26(13-15-29,24(30)35-4)23-27-21(17-8-10-19(33-2)11-9-17)22(36-23)18-6-5-7-20(16-18)34-3/h5-11,16,32H,12-15H2,1-4H3
InChIKeyQRCVDJZHNBOCDD-UHFFFAOYSA-N
XLogP3.97
TPSA114.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

methyl 4-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-4-carboxylate
CID 89031788
1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid
CID 59486721
4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486588
methyl 1-[hydroxy(methyl)carbamoyl]-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]piperidine-4-carboxylate
CID 59486837
4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031770
methyl 4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate
CID 68507319
2-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[hydroxy(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 59486570
N-ethyl-N-hydroxy-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 59487060
N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 59486528
benzyl 1-[hydroxy(methyl)carbamoyl]-4-[5-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 59486639
4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide
CID 59486654
3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91347677

Frequently Asked Questions

What is the IUPAC name of methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate (CID 59486996) is methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate is COC(=O)C1(c2nc(-c3ccc(OC)cc3)c(-c3cccc(OC)c3)o2)CCN(C(=O)N(C)O)CC1.
What is the InChIKey of methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
The InChIKey is QRCVDJZHNBOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O7/c1-28(32)25(31)29-14-12-26(13-15-29,24(30)35-4)23-27-21(17-8-10-19(33-2)11-9-17)22(36-23)18-6-5-7-20(16-18)34-3/h5-11,16,32H,12-15H2,1-4H3.
What are the key properties of methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate?
methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate has a molecular weight of 495.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[hydroxy(methyl)carbamoyl]-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 59486996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).