5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide

C14H15F2N3O2 — CID 110647673

IUPAC5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O2/c1-19(2)6-5-17-14(20)10-8-18-21-13(10)9-3-4-11(15)12(16)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)
InChIKeyWACNLQSWVMCTFT-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.91
Rot. Bonds5

About 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide

5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 110647673) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID110647673
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O2/c1-19(2)6-5-17-14(20)10-8-18-21-13(10)9-3-4-11(15)12(16)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)
InChIKeyWACNLQSWVMCTFT-UHFFFAOYSA-N
XLogP1.91
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide (CID 110647673) is 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide is CN(C)CCNC(=O)c1cnoc1-c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is WACNLQSWVMCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-19(2)6-5-17-14(20)10-8-18-21-13(10)9-3-4-11(15)12(16)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,20).
What are the key properties of 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide?
5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110647673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).