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

C15H18N2O3 — CID 2815027

IUPACN-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCOCCCNC(=O)c1ccccc1-c1cc(C)no1
InChIInChI=1S/C15H18N2O3/c1-11-10-14(20-17-11)12-6-3-4-7-13(12)15(18)16-8-5-9-19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18)
InChIKeyAOKDLRBBWVWWBZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.42
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 2815027) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID2815027
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCOCCCNC(=O)c1ccccc1-c1cc(C)no1
InChIInChI=1S/C15H18N2O3/c1-11-10-14(20-17-11)12-6-3-4-7-13(12)15(18)16-8-5-9-19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18)
InChIKeyAOKDLRBBWVWWBZ-UHFFFAOYSA-N
XLogP2.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 2815027) is N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide is COCCCNC(=O)c1ccccc1-c1cc(C)no1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is AOKDLRBBWVWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-10-14(20-17-11)12-6-3-4-7-13(12)15(18)16-8-5-9-19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide?
N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 2815027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).