5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide

C18H17N3O5 — CID 24793819

IUPAC5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3ccon3)no2)cc1
InChIInChI=1S/C18H17N3O5/c1-12(22)13-3-5-15(6-4-13)24-11-16-9-17(20-26-16)18(23)21(2)10-14-7-8-25-19-14/h3-9H,10-11H2,1-2H3
InChIKeyLHOKJDCPVAWXHJ-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.72
Rot. Bonds7

About 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24793819) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24793819
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3ccon3)no2)cc1
InChIInChI=1S/C18H17N3O5/c1-12(22)13-3-5-15(6-4-13)24-11-16-9-17(20-26-16)18(23)21(2)10-14-7-8-25-19-14/h3-9H,10-11H2,1-2H3
InChIKeyLHOKJDCPVAWXHJ-UHFFFAOYSA-N
XLogP2.72
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-acetylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791526
5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 56744931
5-[(4-acetylphenoxy)methyl]-N-[(2R)-butan-2-yl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 95215232
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24793101
N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 58166119
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
N-(2-hydroxyethyl)-N-methyl-4-(1,2-oxazol-3-ylmethoxy)benzamide
CID 75374011
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25285334
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24794306
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42101255

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24793819) is 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3ccon3)no2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LHOKJDCPVAWXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-12(22)13-3-5-15(6-4-13)24-11-16-9-17(20-26-16)18(23)21(2)10-14-7-8-25-19-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24793819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).