5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide

C18H24N6O2 — CID 46978813

IUPAC5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NC(Cn3ccnc3)C(C)(C)C)no2)cn1
InChIInChI=1S/C18H24N6O2/c1-5-24-10-13(9-20-24)15-8-14(22-26-15)17(25)21-16(18(2,3)4)11-23-7-6-19-12-23/h6-10,12,16H,5,11H2,1-4H3,(H,21,25)
InChIKeyYTYOBOAAIWIDSP-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.60
Rot. Bonds6

About 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide

5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 46978813) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID46978813
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NC(Cn3ccnc3)C(C)(C)C)no2)cn1
InChIInChI=1S/C18H24N6O2/c1-5-24-10-13(9-20-24)15-8-14(22-26-15)17(25)21-16(18(2,3)4)11-23-7-6-19-12-23/h6-10,12,16H,5,11H2,1-4H3,(H,21,25)
InChIKeyYTYOBOAAIWIDSP-UHFFFAOYSA-N
XLogP2.60
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide
CID 75373427
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 78975141
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786820
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 92613561
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
1-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 94805776
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 71887640
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide (CID 46978813) is 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide is CCn1cc(-c2cc(C(=O)NC(Cn3ccnc3)C(C)(C)C)no2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YTYOBOAAIWIDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-5-24-10-13(9-20-24)15-8-14(22-26-15)17(25)21-16(18(2,3)4)11-23-7-6-19-12-23/h6-10,12,16H,5,11H2,1-4H3,(H,21,25).
What are the key properties of 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide?
5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46978813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).