N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide

C12H13N3O2 — CID 57365509

IUPACN'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide
SMILESCc1oc(-c2ccccc2)nc1CC(N)=NO
InChIInChI=1S/C12H13N3O2/c1-8-10(7-11(13)15-16)14-12(17-8)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3,(H2,13,15)
InChIKeyDIUGVOAWWOFWRM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.94
Rot. Bonds3

About N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide

N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide (PubChem CID 57365509) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide
PubChem CID57365509
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide
SMILESCc1oc(-c2ccccc2)nc1CC(N)=NO
InChIInChI=1S/C12H13N3O2/c1-8-10(7-11(13)15-16)14-12(17-8)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3,(H2,13,15)
InChIKeyDIUGVOAWWOFWRM-UHFFFAOYSA-N
XLogP1.94
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
(2R)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylacetamide
CID 94614527
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119598949
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide (CID 57365509) is N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide is Cc1oc(-c2ccccc2)nc1CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide?
The InChIKey is DIUGVOAWWOFWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-10(7-11(13)15-16)14-12(17-8)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide?
N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide has a molecular weight of 231.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide is sourced from PubChem (CID 57365509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).