5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide

C17H16N4O2 — CID 91813357

IUPAC5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2cnc(-c3ccccc3)nc2)no1
InChIInChI=1S/C17H16N4O2/c1-12-9-15(21-23-12)17(22)18-8-7-13-10-19-16(20-11-13)14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,18,22)
InChIKeyYACLOTVMJSELLU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.41
Rot. Bonds5

About 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 91813357) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID91813357
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2cnc(-c3ccccc3)nc2)no1
InChIInChI=1S/C17H16N4O2/c1-12-9-15(21-23-12)17(22)18-8-7-13-10-19-16(20-11-13)14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,18,22)
InChIKeyYACLOTVMJSELLU-UHFFFAOYSA-N
XLogP2.41
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
N-[2-(furan-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71798432
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 90515715
(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 100689903
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8991000
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 91813375
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 91813357) is 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2cnc(-c3ccccc3)nc2)no1.
What is the InChIKey of 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YACLOTVMJSELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-9-15(21-23-12)17(22)18-8-7-13-10-19-16(20-11-13)14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3,(H,18,22).
What are the key properties of 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91813357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).