N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide

C9H10N4O — CID 54072134

IUPACN'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide
SMILESNN=C(N)Cc1noc2ccccc12
InChIInChI=1S/C9H10N4O/c10-9(12-11)5-7-6-3-1-2-4-8(6)14-13-7/h1-4H,5,11H2,(H2,10,12)
InChIKeyMHEGBHZMOPENGI-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.60
Rot. Bonds2

About N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide

N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide (PubChem CID 54072134) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide
PubChem CID54072134
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide
SMILESNN=C(N)Cc1noc2ccccc12
InChIInChI=1S/C9H10N4O/c10-9(12-11)5-7-6-3-1-2-4-8(6)14-13-7/h1-4H,5,11H2,(H2,10,12)
InChIKeyMHEGBHZMOPENGI-UHFFFAOYSA-N
XLogP0.60
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-1,2-benzoxazole
CID 3499189
N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969995
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
2-(1,2-benzoxazol-3-yl)acetamide;2-(1,2-benzoxazol-3-yl)acetic acid;methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 160649759
N-(benzenesulfonyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 25122234
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide?
The IUPAC name of N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide (CID 54072134) is N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide.
What is the SMILES notation for N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide?
The canonical SMILES for N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide is NN=C(N)Cc1noc2ccccc12.
What is the InChIKey of N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide?
The InChIKey is MHEGBHZMOPENGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-9(12-11)5-7-6-3-1-2-4-8(6)14-13-7/h1-4H,5,11H2,(H2,10,12).
What are the key properties of N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide?
N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide has a molecular weight of 190.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide is sourced from PubChem (CID 54072134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).