3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide

C17H20N2O4 — CID 16762540

IUPAC3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3CCOCC3)on2)cc1
InChIInChI=1S/C17H20N2O4/c1-21-14-4-2-13(3-5-14)15-10-16(23-19-15)17(20)18-11-12-6-8-22-9-7-12/h2-5,10,12H,6-9,11H2,1H3,(H,18,20)
InChIKeyODFIMVFGSHLEGR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.51
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide

3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 16762540) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID16762540
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC3CCOCC3)on2)cc1
InChIInChI=1S/C17H20N2O4/c1-21-14-4-2-13(3-5-14)15-10-16(23-19-15)17(20)18-11-12-6-8-22-9-7-12/h2-5,10,12H,6-9,11H2,1H3,(H,18,20)
InChIKeyODFIMVFGSHLEGR-UHFFFAOYSA-N
XLogP2.51
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 111460192
N-(2-adamantyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 167763232
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
3-(oxan-4-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369661
N-(1-cyanopyrrolidin-3-yl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 122590495
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
4-[[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541889
2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91914773
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536681
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide (CID 16762540) is 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCC3CCOCC3)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ODFIMVFGSHLEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-14-4-2-13(3-5-14)15-10-16(23-19-15)17(20)18-11-12-6-8-22-9-7-12/h2-5,10,12H,6-9,11H2,1H3,(H,18,20).
What are the key properties of 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16762540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).