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

C16H19N3O4 — CID 109052820

IUPAC1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H19N3O4/c1-11-9-14(19-23-11)18-16(21)13-6-3-5-12(10-13)15(20)17-7-4-8-22-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyNOLFFZGLPSBYRX-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.00
Rot. Bonds7

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

1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide (PubChem CID 109052820) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
PubChem CID109052820
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H19N3O4/c1-11-9-14(19-23-11)18-16(21)13-6-3-5-12(10-13)15(20)17-7-4-8-22-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyNOLFFZGLPSBYRX-UHFFFAOYSA-N
XLogP2.00
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
4-N-(3-methoxypropyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109082638
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055500
2-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109167318
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
1-N-(3-methoxypropyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109052749
1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370348

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide (CID 109052820) is 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide is COCCCNC(=O)c1cccc(C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The InChIKey is NOLFFZGLPSBYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-9-14(19-23-11)18-16(21)13-6-3-5-12(10-13)15(20)17-7-4-8-22-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).