N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide

C19H20N4O3 — CID 24819209

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)c2cc(COc3ccccc3)on2)n1
InChIInChI=1S/C19H20N4O3/c1-13-10-14(2)22-18(21-13)8-9-20-19(24)17-11-16(26-23-17)12-25-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,24)
InChIKeyVWJHNWIQPMRUAF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24819209) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID24819209
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)c2cc(COc3ccccc3)on2)n1
InChIInChI=1S/C19H20N4O3/c1-13-10-14(2)22-18(21-13)8-9-20-19(24)17-11-16(26-23-17)12-25-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,24)
InChIKeyVWJHNWIQPMRUAF-UHFFFAOYSA-N
XLogP2.63
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide (CID 24819209) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)nc(CCNC(=O)c2cc(COc3ccccc3)on2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VWJHNWIQPMRUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-10-14(2)22-18(21-13)8-9-20-19(24)17-11-16(26-23-17)12-25-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).