N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide

C18H24N2O2 — CID 54770484

IUPACN,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H24N2O2/c1-3-5-12-20(13-6-4-2)18(21)17-14-16(19-22-17)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3
InChIKeyOALJCTDQPHKHKT-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.38
Rot. Bonds8

About N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide

N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 54770484) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID54770484
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H24N2O2/c1-3-5-12-20(13-6-4-2)18(21)17-14-16(19-22-17)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3
InChIKeyOALJCTDQPHKHKT-UHFFFAOYSA-N
XLogP4.38
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide (CID 54770484) is N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide is CCCCN(CCCC)C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is OALJCTDQPHKHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-5-12-20(13-6-4-2)18(21)17-14-16(19-22-17)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3.
What are the key properties of N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide?
N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 54770484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).