5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide

C21H26N4O3 — CID 26315290

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2cc(C(=O)N(C)CCn3nc(C)cc3C)no2)c1
InChIInChI=1S/C21H26N4O3/c1-14-6-7-15(2)20(10-14)27-13-18-12-19(23-28-18)21(26)24(5)8-9-25-17(4)11-16(3)22-25/h6-7,10-12H,8-9,13H2,1-5H3
InChIKeyXBQUBCCKIURHAV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.46
Rot. Bonds7

About 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 26315290) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID26315290
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C)c(OCc2cc(C(=O)N(C)CCn3nc(C)cc3C)no2)c1
InChIInChI=1S/C21H26N4O3/c1-14-6-7-15(2)20(10-14)27-13-18-12-19(23-28-18)21(26)24(5)8-9-25-17(4)11-16(3)22-25/h6-7,10-12H,8-9,13H2,1-5H3
InChIKeyXBQUBCCKIURHAV-UHFFFAOYSA-N
XLogP3.46
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 126460362
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 24791966
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791177
5-[(2,5-dimethylphenoxy)methyl]-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189961
2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 72902089
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 29151221
[4-(2-chlorophenyl)piperazin-1-yl]-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42147594
(2,5-dimethylphenyl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562950
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
CID 119060682
N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 24817144
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 91832275
5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 56744931

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 26315290) is 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(C)c(OCc2cc(C(=O)N(C)CCn3nc(C)cc3C)no2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is XBQUBCCKIURHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-6-7-15(2)20(10-14)27-13-18-12-19(23-28-18)21(26)24(5)8-9-25-17(4)11-16(3)22-25/h6-7,10-12H,8-9,13H2,1-5H3.
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26315290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).