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

C15H10N6O2S — CID 122300931

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H10N6O2S/c22-14(11-6-12(23-20-11)13-2-1-5-24-13)19-10-7-17-15(18-8-10)21-4-3-16-9-21/h1-9H,(H,19,22)
InChIKeyRXSYYXYFZTVXBE-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.63
Rot. Bonds4

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

N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 122300931) has the molecular formula C15H10N6O2S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID122300931
Molecular FormulaC15H10N6O2S
Molecular Weight338.35 g/mol
Exact Mass338.06
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H10N6O2S/c22-14(11-6-12(23-20-11)13-2-1-5-24-13)19-10-7-17-15(18-8-10)21-4-3-16-9-21/h1-9H,(H,19,22)
InChIKeyRXSYYXYFZTVXBE-UHFFFAOYSA-N
XLogP2.63
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51129992
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-(2-imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122300861
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 122300931) is N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cnc(-n2ccnc2)nc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is RXSYYXYFZTVXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2S/c22-14(11-6-12(23-20-11)13-2-1-5-24-13)19-10-7-17-15(18-8-10)21-4-3-16-9-21/h1-9H,(H,19,22).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122300931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).