N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C21H22N6O2 — CID 46978814

IUPACN-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ncc(-c4ccc(C)c(C)c4)n3C)no2)cn1
InChIInChI=1S/C21H22N6O2/c1-5-27-12-16(10-23-27)19-9-17(25-29-19)20(28)24-21-22-11-18(26(21)4)15-7-6-13(2)14(3)8-15/h6-12H,5H2,1-4H3,(H,22,24,28)
InChIKeyBNLMYWAPLALPCR-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.83
Rot. Bonds5

About N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 46978814) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID46978814
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)Nc3ncc(-c4ccc(C)c(C)c4)n3C)no2)cn1
InChIInChI=1S/C21H22N6O2/c1-5-27-12-16(10-23-27)19-9-17(25-29-19)20(28)24-21-22-11-18(26(21)4)15-7-6-13(2)14(3)8-15/h6-12H,5H2,1-4H3,(H,22,24,28)
InChIKeyBNLMYWAPLALPCR-UHFFFAOYSA-N
XLogP3.83
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 46978814) is N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is CCn1cc(-c2cc(C(=O)Nc3ncc(-c4ccc(C)c(C)c4)n3C)no2)cn1.
What is the InChIKey of N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BNLMYWAPLALPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-5-27-12-16(10-23-27)19-9-17(25-29-19)20(28)24-21-22-11-18(26(21)4)15-7-6-13(2)14(3)8-15/h6-12H,5H2,1-4H3,(H,22,24,28).
What are the key properties of N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46978814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).