5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide

C16H19N3O5 — CID 136970109

IUPAC5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1C(N)=O
InChIInChI=1S/C16H19N3O5/c1-4-18-16(23)13-12(15(17)22)14(24-19-13)9-5-8(7(2)3)10(20)6-11(9)21/h5-7,20-21H,4H2,1-3H3,(H2,17,22)(H,18,23)
InChIKeyAXCJAMYEKXSTCR-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.72
Rot. Bonds5

About 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide

5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide (PubChem CID 136970109) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide.

Molecular Properties

Compound Name5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide
PubChem CID136970109
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1C(N)=O
InChIInChI=1S/C16H19N3O5/c1-4-18-16(23)13-12(15(17)22)14(24-19-13)9-5-8(7(2)3)10(20)6-11(9)21/h5-7,20-21H,4H2,1-3H3,(H2,17,22)(H,18,23)
InChIKeyAXCJAMYEKXSTCR-UHFFFAOYSA-N
XLogP1.72
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 135895337
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-[[[3-(hydroxyamino)-3-oxopropyl]amino]methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 135858887
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;molecular hydrogen
CID 167677624
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide
CID 145426412
ethyl 2-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl)-2-[4-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]phenyl]acetate
CID 145426464
2,3-dihydroxybutanedioic acid;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135910288
1-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-(ethylaminomethyl)phenyl]-1,2-oxazol-3-yl]butan-1-one
CID 160685278
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-ethylsulfanylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide
CID 137255294
4-[4-[[4-(6-aminohexanoyl)piperazin-1-yl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 137003860
disodium;[2-[3-(ethylcarbamoyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-oxazol-5-yl]-5-hydroxy-4-propan-2-ylphenyl] phosphate
CID 136612956
N-[3-(3-aminopropanoyl)-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-1,2-oxazol-4-yl]-4-bromobenzamide
CID 141253058
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]ethynyl]-1,2-oxazole-3-carboxamide
CID 137069417

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide?
The IUPAC name of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide (CID 136970109) is 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide.
What is the SMILES notation for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide?
The canonical SMILES for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1C(N)=O.
What is the InChIKey of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide?
The InChIKey is AXCJAMYEKXSTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-4-18-16(23)13-12(15(17)22)14(24-19-13)9-5-8(7(2)3)10(20)6-11(9)21/h5-7,20-21H,4H2,1-3H3,(H2,17,22)(H,18,23).
What are the key properties of 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide?
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide is sourced from PubChem (CID 136970109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).