N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C17H17N5O2 — CID 109259621

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NCCc3ccccc3)nc2)no1
InChIInChI=1S/C17H17N5O2/c1-12-9-15(22-24-12)21-16(23)14-10-19-17(20-11-14)18-8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)(H,21,22,23)
InChIKeyKSJXGWPBBSXLQA-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.68
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259621) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259621
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NCCc3ccccc3)nc2)no1
InChIInChI=1S/C17H17N5O2/c1-12-9-15(22-24-12)21-16(23)14-10-19-17(20-11-14)18-8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)(H,21,22,23)
InChIKeyKSJXGWPBBSXLQA-UHFFFAOYSA-N
XLogP2.68
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191960
N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259097
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330438
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259621) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(NCCc3ccccc3)nc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is KSJXGWPBBSXLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-9-15(22-24-12)21-16(23)14-10-19-17(20-11-14)18-8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)(H,21,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).