N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide

C16H18N2O4 — CID 70777169

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)C1COCCO1
InChIInChI=1S/C16H18N2O4/c1-18(16(19)15-11-20-7-8-21-15)10-13-9-14(17-22-13)12-5-3-2-4-6-12/h2-6,9,15H,7-8,10-11H2,1H3
InChIKeySTJLPNZRCPEURU-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.72
Rot. Bonds4

About N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide (PubChem CID 70777169) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
PubChem CID70777169
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)C1COCCO1
InChIInChI=1S/C16H18N2O4/c1-18(16(19)15-11-20-7-8-21-15)10-13-9-14(17-22-13)12-5-3-2-4-6-12/h2-6,9,15H,7-8,10-11H2,1H3
InChIKeySTJLPNZRCPEURU-UHFFFAOYSA-N
XLogP1.72
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide (CID 70777169) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)C1COCCO1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide?
The InChIKey is STJLPNZRCPEURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-18(16(19)15-11-20-7-8-21-15)10-13-9-14(17-22-13)12-5-3-2-4-6-12/h2-6,9,15H,7-8,10-11H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 70777169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).