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

C21H23N3O3 — CID 24817513

IUPAC5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(COc2c(C)cccc2C)on1
InChIInChI=1S/C21H23N3O3/c1-4-24(13-17-8-10-22-11-9-17)21(25)19-12-18(27-23-19)14-26-20-15(2)6-5-7-16(20)3/h5-12H,4,13-14H2,1-3H3
InChIKeyXYSGLQJLRURGFY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.93
Rot. Bonds7

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

5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24817513) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24817513
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(COc2c(C)cccc2C)on1
InChIInChI=1S/C21H23N3O3/c1-4-24(13-17-8-10-22-11-9-17)21(25)19-12-18(27-23-19)14-26-20-15(2)6-5-7-16(20)3/h5-12H,4,13-14H2,1-3H3
InChIKeyXYSGLQJLRURGFY-UHFFFAOYSA-N
XLogP3.93
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ML381
CID 42519285
Odm-207
CID 118224658
N-cyclopentyl-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16190148
4-({5-[(2,5-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)morpholine
CID 24790673
Dafadine-A
CID 24790866
1-({5-[(2,6-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-2-methyl-4-phenylpiperazine
CID 24794246
[5-(Furan-2-yl)-1,2-oxazol-3-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54583107
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(pyridin-2-ylmethyl)benzamide
CID 2495025
1-({5-[(Quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperidin-4-ol
CID 16187688
1-[1-({5-[(Quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperidin-4-yl]propan-1-ol
CID 16187732
Ethyl 4-({5-[(quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperazine-1-carboxylate
CID 16187802
N-methyl-N-[(3-methylisoxazol-5-yl)methyl]-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16188167

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24817513) is 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CCN(Cc1ccncc1)C(=O)c1cc(COc2c(C)cccc2C)on1.
What is the InChIKey of 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XYSGLQJLRURGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24(13-17-8-10-22-11-9-17)21(25)19-12-18(27-23-19)14-26-20-15(2)6-5-7-16(20)3/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenoxy)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).