N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C16H16N4O2 — CID 47916064

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4O2/c1-10-13(11(2)22-20-10)9-17-16(21)15-8-14(18-19-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyLRLHLXORBWMAIS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 47916064) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID47916064
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4O2/c1-10-13(11(2)22-20-10)9-17-16(21)15-8-14(18-19-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyLRLHLXORBWMAIS-UHFFFAOYSA-N
XLogP2.61
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514464
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47865933
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47916250
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 47916064) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cc1noc(C)c1CNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is LRLHLXORBWMAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-13(11(2)22-20-10)9-17-16(21)15-8-14(18-19-15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47916064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).