N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C14H16N2O4 — CID 75393808

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ccc(O)c(O)c2)o1
InChIInChI=1S/C14H16N2O4/c1-8-13(20-9(2)16-8)14(19)15-6-5-10-3-4-11(17)12(18)7-10/h3-4,7,17-18H,5-6H2,1-2H3,(H,15,19)
InChIKeyMAEHAKIMGWNIOC-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 75393808) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID75393808
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCc2ccc(O)c(O)c2)o1
InChIInChI=1S/C14H16N2O4/c1-8-13(20-9(2)16-8)14(19)15-6-5-10-3-4-11(17)12(18)7-10/h3-4,7,17-18H,5-6H2,1-2H3,(H,15,19)
InChIKeyMAEHAKIMGWNIOC-UHFFFAOYSA-N
XLogP1.68
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684838
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 25199546
2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684821
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107231345
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 79884277
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79026371

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 75393808) is N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCc2ccc(O)c(O)c2)o1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is MAEHAKIMGWNIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-13(20-9(2)16-8)14(19)15-6-5-10-3-4-11(17)12(18)7-10/h3-4,7,17-18H,5-6H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 75393808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).