N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C19H27N3O2 — CID 3073020

IUPACN-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)CCN(C(=O)c1cc(C)on1)c1c(C)cccc1C
InChIInChI=1S/C19H27N3O2/c1-6-21(7-2)11-12-22(18-14(3)9-8-10-15(18)4)19(23)17-13-16(5)24-20-17/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyGQCLMRCNOOVJGD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 3073020) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID3073020
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC)CCN(C(=O)c1cc(C)on1)c1c(C)cccc1C
InChIInChI=1S/C19H27N3O2/c1-6-21(7-2)11-12-22(18-14(3)9-8-10-15(18)4)19(23)17-13-16(5)24-20-17/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyGQCLMRCNOOVJGD-UHFFFAOYSA-N
XLogP3.59
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 3073020) is N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is CCN(CC)CCN(C(=O)c1cc(C)on1)c1c(C)cccc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GQCLMRCNOOVJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-21(7-2)11-12-22(18-14(3)9-8-10-15(18)4)19(23)17-13-16(5)24-20-17/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3073020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).