N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C13H14N6O2 — CID 28906722

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1noc(CNC(=O)c2c(C)nc3ncccn23)n1
InChIInChI=1S/C13H14N6O2/c1-3-9-17-10(21-18-9)7-15-12(20)11-8(2)16-13-14-5-4-6-19(11)13/h4-6H,3,7H2,1-2H3,(H,15,20)
InChIKeyYYMSBFJXRSSSQJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP0.91
Rot. Bonds4

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 28906722) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID28906722
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1noc(CNC(=O)c2c(C)nc3ncccn23)n1
InChIInChI=1S/C13H14N6O2/c1-3-9-17-10(21-18-9)7-15-12(20)11-8(2)16-13-14-5-4-6-19(11)13/h4-6H,3,7H2,1-2H3,(H,15,20)
InChIKeyYYMSBFJXRSSSQJ-UHFFFAOYSA-N
XLogP0.91
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 131894963
2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 155291153
N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 29181988
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 107518684
2-propylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 115405202
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 3480488
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 118765444
N-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine
CID 83827625
N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 133112462
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244
2-ethyl-4-methyl-N-[[3-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 138035355

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 28906722) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CCc1noc(CNC(=O)c2c(C)nc3ncccn23)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YYMSBFJXRSSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-3-9-17-10(21-18-9)7-15-12(20)11-8(2)16-13-14-5-4-6-19(11)13/h4-6H,3,7H2,1-2H3,(H,15,20).
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 28906722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).