4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide

C17H21N3O3 — CID 109048796

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-4-5-10-18-16(21)13-6-8-14(9-7-13)17(22)19-15-11-12(2)23-20-15/h6-9,11H,3-5,10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyUTOWKXOCBLCFCC-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.16
Rot. Bonds7

About 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide (PubChem CID 109048796) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
PubChem CID109048796
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-4-5-10-18-16(21)13-6-8-14(9-7-13)17(22)19-15-11-12(2)23-20-15/h6-9,11H,3-5,10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyUTOWKXOCBLCFCC-UHFFFAOYSA-N
XLogP3.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.16
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-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109048706
1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109052820
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-pentylacetamide
CID 109006112
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049803
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
4-N-(3-methoxypropyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109082638
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide (CID 109048796) is 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide is CCCCCNC(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide?
The InChIKey is UTOWKXOCBLCFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-4-5-10-18-16(21)13-6-8-14(9-7-13)17(22)19-15-11-12(2)23-20-15/h6-9,11H,3-5,10H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide?
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).