N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide

C18H22N2O3 — CID 44554617

IUPACN-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1
InChIInChI=1S/C18H22N2O3/c1-19-17(22)15-13-23-18(20-15)16(21)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11,13H,2-3,5,8-9,12H2,1H3,(H,19,22)
InChIKeyZSWXYDHKXMUUMO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.41
Rot. Bonds9

About N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide

N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide (PubChem CID 44554617) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
PubChem CID44554617
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
SMILESCNC(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1
InChIInChI=1S/C18H22N2O3/c1-19-17(22)15-13-23-18(20-15)16(21)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11,13H,2-3,5,8-9,12H2,1H3,(H,19,22)
InChIKeyZSWXYDHKXMUUMO-UHFFFAOYSA-N
XLogP3.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.41
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-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide (CID 44554617) is N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide is CNC(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1.
What is the InChIKey of N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZSWXYDHKXMUUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19-17(22)15-13-23-18(20-15)16(21)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11,13H,2-3,5,8-9,12H2,1H3,(H,19,22).
What are the key properties of N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide?
N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44554617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).