N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide

C16H16N4O2 — CID 18110536

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)on1
InChIInChI=1S/C16H16N4O2/c1-10-9-14(22-19-10)16(21)17-15-11(2)18-20(12(15)3)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,17,21)
InChIKeyCDQBIBKPVCWLEK-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.04
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 18110536) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID18110536
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)on1
InChIInChI=1S/C16H16N4O2/c1-10-9-14(22-19-10)16(21)17-15-11(2)18-20(12(15)3)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,17,21)
InChIKeyCDQBIBKPVCWLEK-UHFFFAOYSA-N
XLogP3.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 9550233
N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-3-methyl-5-isoxazolecarboxamide
CID 9550989
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 9550990
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6619748
N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methyl-3-isoxazolecarboxamide
CID 15988710
N-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-YL)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 15988782
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 5308012
N-(1-benzyl-1H-pyrazol-4-yl)-3-isopropylisoxazole-5-carboxamide
CID 134701053
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl}(5-ethylisoxazol-3-yl)c arboxamide
CID 15988753
N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-5-propyl-3-isoxazolecarboxamide
CID 15988788
N-(1-benzylpyrazol-4-yl)-3-prop-1-en-2-yl-1,2-oxazole-5-carboxamide
CID 146220570
US11690850, Example 16
CID 156391460

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 18110536) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)on1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is CDQBIBKPVCWLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-9-14(22-19-10)16(21)17-15-11(2)18-20(12(15)3)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,17,21).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 18110536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).