5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide

C16H20N2O4 — CID 56715383

IUPAC5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)N(C)C(C)C)no2)c1
InChIInChI=1S/C16H20N2O4/c1-11(2)18(3)16(19)15-9-14(22-17-15)10-21-13-7-5-6-12(8-13)20-4/h5-9,11H,10H2,1-4H3
InChIKeyFICMIRYCXLKJAR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.74
Rot. Bonds6

About 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide

5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 56715383) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID56715383
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)N(C)C(C)C)no2)c1
InChIInChI=1S/C16H20N2O4/c1-11(2)18(3)16(19)15-9-14(22-17-15)10-21-13-7-5-6-12(8-13)20-4/h5-9,11H,10H2,1-4H3
InChIKeyFICMIRYCXLKJAR-UHFFFAOYSA-N
XLogP2.74
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-acetylphenoxy)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42192580
5-[(4-acetylphenoxy)methyl]-N-[1-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 45174646
5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 71737702
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
N-[(2R)-1-methoxybutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 25449037
5-[(3-methoxyphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 24791304
5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 45202237
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 45252351
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24816881
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 56715383) is 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide is COc1cccc(OCc2cc(C(=O)N(C)C(C)C)no2)c1.
What is the InChIKey of 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FICMIRYCXLKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(2)18(3)16(19)15-9-14(22-17-15)10-21-13-7-5-6-12(8-13)20-4/h5-9,11H,10H2,1-4H3.
What are the key properties of 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56715383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).