N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H23N3O2 — CID 38748212

IUPACN-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C17H23N3O2/c1-5-20(6-2)11-14-8-7-9-15(10-14)18-17(21)16-12(3)19-22-13(16)4/h7-10H,5-6,11H2,1-4H3,(H,18,21)
InChIKeyHWPHMZMKLOXRKB-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.39
Rot. Bonds6

About N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 38748212) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID38748212
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C17H23N3O2/c1-5-20(6-2)11-14-8-7-9-15(10-14)18-17(21)16-12(3)19-22-13(16)4/h7-10H,5-6,11H2,1-4H3,(H,18,21)
InChIKeyHWPHMZMKLOXRKB-UHFFFAOYSA-N
XLogP3.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 78862760
3-(2-chloro-6-fluorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 38809408
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38324737
3,5-dimethyl-N-[3-(propylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46474322
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63050106
N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38582896
N-[3-(diethylaminomethyl)phenyl]-2-phenylbenzamide
CID 38755706
N-[3-(diethylaminomethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949828
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 38748212) is N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCN(CC)Cc1cccc(NC(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is HWPHMZMKLOXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-20(6-2)11-14-8-7-9-15(10-14)18-17(21)16-12(3)19-22-13(16)4/h7-10H,5-6,11H2,1-4H3,(H,18,21).
What are the key properties of N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 38748212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).