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

C17H20N2O4 — CID 90325779

IUPAC5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1Cc1cc(C(=O)NCC2CCOC2)no1
InChIInChI=1S/C17H20N2O4/c1-21-16-5-3-2-4-13(16)8-14-9-15(19-23-14)17(20)18-10-12-6-7-22-11-12/h2-5,9,12H,6-8,10-11H2,1H3,(H,18,20)
InChIKeyXZZGJWSKDNNTMB-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.04
Rot. Bonds6

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

5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90325779) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90325779
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1Cc1cc(C(=O)NCC2CCOC2)no1
InChIInChI=1S/C17H20N2O4/c1-21-16-5-3-2-4-13(16)8-14-9-15(19-23-14)17(20)18-10-12-6-7-22-11-12/h2-5,9,12H,6-8,10-11H2,1H3,(H,18,20)
InChIKeyXZZGJWSKDNNTMB-UHFFFAOYSA-N
XLogP2.04
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90325779) is 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccccc1Cc1cc(C(=O)NCC2CCOC2)no1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XZZGJWSKDNNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-16-5-3-2-4-13(16)8-14-9-15(19-23-14)17(20)18-10-12-6-7-22-11-12/h2-5,9,12H,6-8,10-11H2,1H3,(H,18,20).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).