5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide

C14H18N6O2 — CID 90543921

IUPAC5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N3CCN(C)CC3)ncn2)no1
InChIInChI=1S/C14H18N6O2/c1-10-7-11(18-22-10)14(21)17-12-8-13(16-9-15-12)20-5-3-19(2)4-6-20/h7-9H,3-6H2,1-2H3,(H,15,16,17,21)
InChIKeyNFMPEAZWZHHIKZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.78
Rot. Bonds3

About 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 90543921) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID90543921
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N3CCN(C)CC3)ncn2)no1
InChIInChI=1S/C14H18N6O2/c1-10-7-11(18-22-10)14(21)17-12-8-13(16-9-15-12)20-5-3-19(2)4-6-20/h7-9H,3-6H2,1-2H3,(H,15,16,17,21)
InChIKeyNFMPEAZWZHHIKZ-UHFFFAOYSA-N
XLogP0.78
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
CID 90543838
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 71794816
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
6-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109345399
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
5-cyclopropyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90546182
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302195
5-(furan-2-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazole-3-carboxamide
CID 90544944
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325856

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide (CID 90543921) is 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(N3CCN(C)CC3)ncn2)no1.
What is the InChIKey of 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NFMPEAZWZHHIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10-7-11(18-22-10)14(21)17-12-8-13(16-9-15-12)20-5-3-19(2)4-6-20/h7-9H,3-6H2,1-2H3,(H,15,16,17,21).
What are the key properties of 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90543921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).