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

C17H18N4O2 — CID 4862534

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cn(C)nc3C)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-11-4-6-13(7-5-11)16-8-15(20-23-16)17(22)18-9-14-10-21(3)19-12(14)2/h4-8,10H,9H2,1-3H3,(H,18,22)
InChIKeyJNPABLLVUSQEEZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.62
Rot. Bonds4

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 4862534) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID4862534
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cn(C)nc3C)no2)cc1
InChIInChI=1S/C17H18N4O2/c1-11-4-6-13(7-5-11)16-8-15(20-23-16)17(22)18-9-14-10-21(3)19-12(14)2/h4-8,10H,9H2,1-3H3,(H,18,22)
InChIKeyJNPABLLVUSQEEZ-UHFFFAOYSA-N
XLogP2.62
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19581507
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 112670100
5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25368405
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4150353
5-(4-methylphenyl)-N-[(4-propanoylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 158316284
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112669931
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671950
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19294420
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865305
N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90536099

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 4862534) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3cn(C)nc3C)no2)cc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JNPABLLVUSQEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-4-6-13(7-5-11)16-8-15(20-23-16)17(22)18-9-14-10-21(3)19-12(14)2/h4-8,10H,9H2,1-3H3,(H,18,22).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4862534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).