N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C16H16N4O2 — CID 4865305

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1c(CNC(=O)c2cc(-c3ccccc3)on2)cnn1C
InChIInChI=1S/C16H16N4O2/c1-11-13(10-18-20(11)2)9-17-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyZLLOYDPXFIKKFB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.31
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 4865305) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID4865305
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1c(CNC(=O)c2cc(-c3ccccc3)on2)cnn1C
InChIInChI=1S/C16H16N4O2/c1-11-13(10-18-20(11)2)9-17-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyZLLOYDPXFIKKFB-UHFFFAOYSA-N
XLogP2.31
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90536099
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90490028
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267597
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824316
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121137865
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862534
N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 4865305) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1c(CNC(=O)c2cc(-c3ccccc3)on2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZLLOYDPXFIKKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-13(10-18-20(11)2)9-17-16(21)14-8-15(22-19-14)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,17,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4865305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).