1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide

C16H19N3O3 — CID 109051241

IUPAC1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H19N3O3/c1-3-4-8-17-15(20)12-6-5-7-13(10-12)16(21)18-14-9-11(2)22-19-14/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyXQOLDANEBFQDLC-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.77
Rot. Bonds6

About 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide

1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide (PubChem CID 109051241) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
PubChem CID109051241
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H19N3O3/c1-3-4-8-17-15(20)12-6-5-7-13(10-12)16(21)18-14-9-11(2)22-19-14/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyXQOLDANEBFQDLC-UHFFFAOYSA-N
XLogP2.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109052820
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055500
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109048706
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370348
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide (CID 109051241) is 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The InChIKey is XQOLDANEBFQDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-4-8-17-15(20)12-6-5-7-13(10-12)16(21)18-14-9-11(2)22-19-14/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).