N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide

C18H20N4O2 — CID 134709378

IUPACN-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCCC(C)n1nc(C)cc1NC(=O)c1cnoc1-c1ccccc1
InChIInChI=1S/C18H20N4O2/c1-4-13(3)22-16(10-12(2)21-22)20-18(23)15-11-19-24-17(15)14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H,20,23)
InChIKeyRQEDQSVYRIHUIA-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.07
Rot. Bonds5

About N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide

N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 134709378) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID134709378
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCCC(C)n1nc(C)cc1NC(=O)c1cnoc1-c1ccccc1
InChIInChI=1S/C18H20N4O2/c1-4-13(3)22-16(10-12(2)21-22)20-18(23)15-11-19-24-17(15)14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H,20,23)
InChIKeyRQEDQSVYRIHUIA-UHFFFAOYSA-N
XLogP4.07
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110406819
N-(2-bromophenyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 110409938
N-(2-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 110649553
5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 131929435
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
3-fluoro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 50952644
3-chloro-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 46992442
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 46993346
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
1-(2-butan-2-yl-5-methylpyrazol-3-yl)-3-[2-(1-oxophthalazin-2-yl)ethyl]urea
CID 118770907
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 134705374

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide (CID 134709378) is N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide is CCC(C)n1nc(C)cc1NC(=O)c1cnoc1-c1ccccc1.
What is the InChIKey of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is RQEDQSVYRIHUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-13(3)22-16(10-12(2)21-22)20-18(23)15-11-19-24-17(15)14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H,20,23).
What are the key properties of N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide?
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yl-5-methylpyrazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134709378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).