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

C17H20N2O4 — CID 46096842

IUPAC5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1onc(C)c1C(=O)NCC1CCCO1
InChIInChI=1S/C17H20N2O4/c1-11-15(17(20)18-10-12-6-5-9-22-12)16(23-19-11)13-7-3-4-8-14(13)21-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,18,20)
InChIKeyMYAOLOWCTLINOR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds5

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

5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 46096842) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID46096842
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1onc(C)c1C(=O)NCC1CCCO1
InChIInChI=1S/C17H20N2O4/c1-11-15(17(20)18-10-12-6-5-9-22-12)16(23-19-11)13-7-3-4-8-14(13)21-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,18,20)
InChIKeyMYAOLOWCTLINOR-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096874
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
5-(2-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46096877
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 46096857
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
5-(2-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95756967
5-(2-methoxyphenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 75537750
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 46096842) is 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide is COc1ccccc1-c1onc(C)c1C(=O)NCC1CCCO1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MYAOLOWCTLINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-15(17(20)18-10-12-6-5-9-22-12)16(23-19-11)13-7-3-4-8-14(13)21-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide?
5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).