N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C13H14N4O2 — CID 25103542

IUPACN-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N=C(N)N)c(C)o2)cc1
InChIInChI=1S/C13H14N4O2/c1-7-3-5-9(6-4-7)12-16-10(8(2)19-12)11(18)17-13(14)15/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeyGZDLOSLWENTZLP-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.37
Rot. Bonds2

About N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 25103542) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID25103542
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N=C(N)N)c(C)o2)cc1
InChIInChI=1S/C13H14N4O2/c1-7-3-5-9(6-4-7)12-16-10(8(2)19-12)11(18)17-13(14)15/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeyGZDLOSLWENTZLP-UHFFFAOYSA-N
XLogP1.37
TPSA107.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 25103539
N-(diaminomethylidene)-2-(3,5-difluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide;methanesulfonic acid
CID 44565056
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
5-methyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole-4-carboxylic acid
CID 98018990
2-bromo-1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 86674821
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 17443218
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175387
5-[(3E)-hexa-1,3,5-trien-3-yl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 143438205
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 25103542) is N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N=C(N)N)c(C)o2)cc1.
What is the InChIKey of N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GZDLOSLWENTZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-7-3-5-9(6-4-7)12-16-10(8(2)19-12)11(18)17-13(14)15/h3-6H,1-2H3,(H4,14,15,17,18).
What are the key properties of N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25103542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).