2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide

C19H25BN2O4 — CID 86700839

IUPAC2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1
InChIInChI=1S/C19H25BN2O4/c1-7-15-21-12(2)16(24-15)17(23)22-14-10-8-13(9-11-14)20-25-18(3,4)19(5,6)26-20/h8-11H,7H2,1-6H3,(H,22,23)
InChIKeyVJIMTODWPBQTJD-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.10
Rot. Bonds4

About 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 86700839) has the molecular formula C19H25BN2O4 and a molecular weight of 356.23 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID86700839
Molecular FormulaC19H25BN2O4
Molecular Weight356.23 g/mol
Exact Mass356.19
IUPAC Name2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1
InChIInChI=1S/C19H25BN2O4/c1-7-15-21-12(2)16(24-15)17(23)22-14-10-8-13(9-11-14)20-25-18(3,4)19(5,6)26-20/h8-11H,7H2,1-6H3,(H,22,23)
InChIKeyVJIMTODWPBQTJD-UHFFFAOYSA-N
XLogP3.10
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 131917366
N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 57415689
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]phenyl]methyl]phenyl]urea
CID 132608953
2,2-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CID 70976320
2-(4-ethylpiperazin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 91759497
1-(3,4-dimethylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 139592799
N-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]ethyl]acetamide
CID 66686958
N-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 71113879
1-(4-methylsulfanylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 162476624
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 136545208
N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
CID 140776472
2-(4-ethylsulfonylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 71285701

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide (CID 86700839) is 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is VJIMTODWPBQTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BN2O4/c1-7-15-21-12(2)16(24-15)17(23)22-14-10-8-13(9-11-14)20-25-18(3,4)19(5,6)26-20/h8-11H,7H2,1-6H3,(H,22,23).
What are the key properties of 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 356.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 86700839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).