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

C18H20N2O5 — CID 24793101

IUPAC5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N(C)C3CCOC3)no2)cc1
InChIInChI=1S/C18H20N2O5/c1-12(21)13-3-5-15(6-4-13)24-11-16-9-17(19-25-16)18(22)20(2)14-7-8-23-10-14/h3-6,9,14H,7-8,10-11H2,1-2H3
InChIKeyPHIHWCIZXCRYSD-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.32
Rot. Bonds6

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

5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24793101) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID24793101
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)N(C)C3CCOC3)no2)cc1
InChIInChI=1S/C18H20N2O5/c1-12(21)13-3-5-15(6-4-13)24-11-16-9-17(19-25-16)18(22)20(2)14-7-8-23-10-14/h3-6,9,14H,7-8,10-11H2,1-2H3
InChIKeyPHIHWCIZXCRYSD-UHFFFAOYSA-N
XLogP2.32
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3R)-oxolan-3-yl]-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 42594495
5-[(4-acetylphenoxy)methyl]-N-(2-hydroxyethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 56744931
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-[(2R)-butan-2-yl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 95215232
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24793819
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
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 82753867
5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide
CID 95748484
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536681

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (CID 24793101) is 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCc2cc(C(=O)N(C)C3CCOC3)no2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PHIHWCIZXCRYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(21)13-3-5-15(6-4-13)24-11-16-9-17(19-25-16)18(22)20(2)14-7-8-23-10-14/h3-6,9,14H,7-8,10-11H2,1-2H3.
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24793101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).