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

C19H24N2O3 — CID 44554786

IUPACN,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
SMILESCN(C)C(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1
InChIInChI=1S/C19H24N2O3/c1-21(2)19(23)16-14-24-18(20-16)17(22)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3
InChIKeyGKQXYZDHXNBGLV-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.75
Rot. Bonds9

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

N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide (PubChem CID 44554786) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
PubChem CID44554786
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
SMILESCN(C)C(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1
InChIInChI=1S/C19H24N2O3/c1-21(2)19(23)16-14-24-18(20-16)17(22)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3
InChIKeyGKQXYZDHXNBGLV-UHFFFAOYSA-N
XLogP3.75
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
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,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide (CID 44554786) is N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide is CN(C)C(=O)c1coc(C(=O)CCCCCCc2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GKQXYZDHXNBGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21(2)19(23)16-14-24-18(20-16)17(22)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide?
N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44554786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).