5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide

C20H21N3O3 — CID 56701087

IUPAC5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1OCc1cc(C(=O)NCCc2ccncc2)no1
InChIInChI=1S/C20H21N3O3/c1-14-4-3-5-15(2)19(14)25-13-17-12-18(23-26-17)20(24)22-11-8-16-6-9-21-10-7-16/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,22,24)
InChIKeyUXFLBGSLOOXDPK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.24
Rot. Bonds7

About 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide

5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56701087) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID56701087
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1OCc1cc(C(=O)NCCc2ccncc2)no1
InChIInChI=1S/C20H21N3O3/c1-14-4-3-5-15(2)19(14)25-13-17-12-18(23-26-17)20(24)22-11-8-16-6-9-21-10-7-16/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,22,24)
InChIKeyUXFLBGSLOOXDPK-UHFFFAOYSA-N
XLogP3.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 42564641
5-[(2,6-dimethylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25275496
N-[2-(3-chlorophenyl)ethyl]-5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42567502
5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42291545
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119499822
5-(furan-2-yl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 24720451
N-[2-(4-aminophenyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119548605
5-[(2,6-dimethylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 42098954
[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 24790866
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 53110220
2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60914586

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 56701087) is 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide is Cc1cccc(C)c1OCc1cc(C(=O)NCCc2ccncc2)no1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UXFLBGSLOOXDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-4-3-5-15(2)19(14)25-13-17-12-18(23-26-17)20(24)22-11-8-16-6-9-21-10-7-16/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,22,24).
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide?
5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56701087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).