N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide

C18H14N6O2 — CID 156596118

IUPACN-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccncn2)on1
InChIInChI=1S/C18H14N6O2/c25-18(16-8-17(26-23-16)15-6-7-19-12-20-15)22-14-9-21-24(11-14)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,25)
InChIKeyIEQKUTWVYAHKLS-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.63
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 156596118) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID156596118
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccncn2)on1
InChIInChI=1S/C18H14N6O2/c25-18(16-8-17(26-23-16)15-6-7-19-12-20-15)22-14-9-21-24(11-14)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,25)
InChIKeyIEQKUTWVYAHKLS-UHFFFAOYSA-N
XLogP2.63
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylisoxazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729296
1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388111
4-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388758
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
CID 22266742
8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione
CID 22266771
8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 22266775
US10899753, Example 75
CID 148433347
US10899753, Example 64
CID 151819109
US10899753, Example 76
CID 151954233
N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
CID 165415029
2-amino-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]acetamide
CID 90446005

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide (CID 156596118) is N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccncn2)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IEQKUTWVYAHKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-18(16-8-17(26-23-16)15-6-7-19-12-20-15)22-14-9-21-24(11-14)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,25).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156596118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).