N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H12N6O2 — CID 122300861

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C13H12N6O2/c1-8-11(9(2)21-18-8)12(20)17-10-5-15-13(16-6-10)19-4-3-14-7-19/h3-7H,1-2H3,(H,17,20)
InChIKeyMDYAHIGMUCBNDO-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.52
Rot. Bonds3

About N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 122300861) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID122300861
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C13H12N6O2/c1-8-11(9(2)21-18-8)12(20)17-10-5-15-13(16-6-10)19-4-3-14-7-19/h3-7H,1-2H3,(H,17,20)
InChIKeyMDYAHIGMUCBNDO-UHFFFAOYSA-N
XLogP1.52
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
CID 122300937
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
3,5-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 37276422
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122300931
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122300796
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
CID 122300910
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 122300861) is N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cnc(-n2ccnc2)nc1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is MDYAHIGMUCBNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-8-11(9(2)21-18-8)12(20)17-10-5-15-13(16-6-10)19-4-3-14-7-19/h3-7H,1-2H3,(H,17,20).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122300861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).