N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide

C13H16N4O — CID 143121623

IUPACN'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide
SMILESCc1cc(-c2c(C)noc2C)cc(N)c1/N=C/N
InChIInChI=1S/C13H16N4O/c1-7-4-10(5-11(15)13(7)16-6-14)12-8(2)17-18-9(12)3/h4-6H,15H2,1-3H3,(H2,14,16)
InChIKeyCKRJMODASBVGPJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.47
Rot. Bonds2

About N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide

N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide (PubChem CID 143121623) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide.

Molecular Properties

Compound NameN'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide
PubChem CID143121623
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide
SMILESCc1cc(-c2c(C)noc2C)cc(N)c1/N=C/N
InChIInChI=1S/C13H16N4O/c1-7-4-10(5-11(15)13(7)16-6-14)12-8(2)17-18-9(12)3/h4-6H,15H2,1-3H3,(H2,14,16)
InChIKeyCKRJMODASBVGPJ-UHFFFAOYSA-N
XLogP2.47
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline
CID 156621301
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane
CID 144853226
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)benzoic acid
CID 141423687
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-(6-methoxy-5-methyl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 147829437
3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
CID 144744385
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide?
The IUPAC name of N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide (CID 143121623) is N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide.
What is the SMILES notation for N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide?
The canonical SMILES for N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide is Cc1cc(-c2c(C)noc2C)cc(N)c1/N=C/N.
What is the InChIKey of N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide?
The InChIKey is CKRJMODASBVGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-4-10(5-11(15)13(7)16-6-14)12-8(2)17-18-9(12)3/h4-6H,15H2,1-3H3,(H2,14,16).
What are the key properties of N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide?
N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide has a molecular weight of 244.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide is sourced from PubChem (CID 143121623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).