N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide

C16H19N3O5 — CID 71782080

IUPACN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)C(=O)Nc2ccon2)cc1
InChIInChI=1S/C16H19N3O5/c1-16(22,9-11-3-5-12(23-2)6-4-11)10-17-14(20)15(21)18-13-7-8-24-19-13/h3-8,22H,9-10H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeySIECLXUNCWLJSF-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.73
Rot. Bonds6

About N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 71782080) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID71782080
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)C(=O)Nc2ccon2)cc1
InChIInChI=1S/C16H19N3O5/c1-16(22,9-11-3-5-12(23-2)6-4-11)10-17-14(20)15(21)18-13-7-8-24-19-13/h3-8,22H,9-10H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeySIECLXUNCWLJSF-UHFFFAOYSA-N
XLogP0.73
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 90498368
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 71782092
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 90498386
N'-(5-chloro-2-cyanophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 90498404
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 95982933
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 99873792
N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
CID 82671591
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 95983011

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 71782080) is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide is COc1ccc(CC(C)(O)CNC(=O)C(=O)Nc2ccon2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is SIECLXUNCWLJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-16(22,9-11-3-5-12(23-2)6-4-11)10-17-14(20)15(21)18-13-7-8-24-19-13/h3-8,22H,9-10H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 333.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 71782080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).