3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C11H12N6O3 — CID 72924317

IUPAC3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCc2noc(C(N)=O)n2)cn1
InChIInChI=1S/C11H12N6O3/c1-2-7-13-3-6(4-14-7)10(19)15-5-8-16-11(9(12)18)20-17-8/h3-4H,2,5H2,1H3,(H2,12,18)(H,15,19)
InChIKeyMDUCFRSEJGLQCD-UHFFFAOYSA-N
MW276.26 g/mol
LogP-0.55
Rot. Bonds5

About 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 72924317) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID72924317
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCc2noc(C(N)=O)n2)cn1
InChIInChI=1S/C11H12N6O3/c1-2-7-13-3-6(4-14-7)10(19)15-5-8-16-11(9(12)18)20-17-8/h3-4H,2,5H2,1H3,(H2,12,18)(H,15,19)
InChIKeyMDUCFRSEJGLQCD-UHFFFAOYSA-N
XLogP-0.55
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US9670193, 26 (R)-N-(1-(dimethylamino)propan-2-yl)-2-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxamide
CID 89601211
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
5-{[(2-Amino-5-ethylpyrimidin-4-YL)amino]methyl}-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 72844015
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(methylthio)pyrimidine-5-carboxamide
CID 91776234
N-[(3-Tert-butyl-1,2,4-oxadiazol-5-YL)methyl]-2-methylpyrimidine-5-carboxamide
CID 118785967
2-(isopropylamino)-N-({3-[(methylamino)carbonyl]-1,2,4-oxadiazol-5-yl}methyl)pyrimidine-5-carboxamide
CID 118787100
N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126425251
2-(methylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 131920608
2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 131924767
N-[1-(dimethylamino)propan-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide
CID 71577199
N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]propanamide
CID 135326215
N-[(2R)-1-(dimethylamino)but-3-en-2-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine-5-carboxamide
CID 145585238

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 72924317) is 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is CCc1ncc(C(=O)NCc2noc(C(N)=O)n2)cn1.
What is the InChIKey of 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MDUCFRSEJGLQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-2-7-13-3-6(4-14-7)10(19)15-5-8-16-11(9(12)18)20-17-8/h3-4H,2,5H2,1H3,(H2,12,18)(H,15,19).
What are the key properties of 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 276.26 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethylpyrimidine-5-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 72924317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).