2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide

C20H23N3O3S — CID 47919461

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
SMILESCCc1nc(CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cs1
InChIInChI=1S/C20H23N3O3S/c1-5-19-21-15(12-27-19)10-23(4)20(24)16-8-6-7-9-18(16)25-11-17-13(2)22-26-14(17)3/h6-9,12H,5,10-11H2,1-4H3
InChIKeyPZLUHKVEXNKFEF-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.16
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 47919461) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
PubChem CID47919461
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
SMILESCCc1nc(CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cs1
InChIInChI=1S/C20H23N3O3S/c1-5-19-21-15(12-27-19)10-23(4)20(24)16-8-6-7-9-18(16)25-11-17-13(2)22-26-14(17)3/h6-9,12H,5,10-11H2,1-4H3
InChIKeyPZLUHKVEXNKFEF-UHFFFAOYSA-N
XLogP4.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 34677040
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 35146752
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770635
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 25161494
N-(3-amino-2,2-dimethylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 119652632
2-methoxy-N-methyl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42837358
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55621355
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-methoxyphenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 30750024
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30544768
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide (CID 47919461) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide is CCc1nc(CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cs1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is PZLUHKVEXNKFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-5-19-21-15(12-27-19)10-23(4)20(24)16-8-6-7-9-18(16)25-11-17-13(2)22-26-14(17)3/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 47919461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).