N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide

C10H16N4O2 — CID 106418436

IUPACN'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCc2ccno2)CC1)=NO
InChIInChI=1S/C10H16N4O2/c11-9(14-15)5-10(2-3-10)7-12-6-8-1-4-13-16-8/h1,4,12,15H,2-3,5-7H2,(H2,11,14)
InChIKeyLJYQZEGGXBGWJB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.68
Rot. Bonds6

About N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 106418436) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID106418436
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCc2ccno2)CC1)=NO
InChIInChI=1S/C10H16N4O2/c11-9(14-15)5-10(2-3-10)7-12-6-8-1-4-13-16-8/h1,4,12,15H,2-3,5-7H2,(H2,11,14)
InChIKeyLJYQZEGGXBGWJB-UHFFFAOYSA-N
XLogP0.68
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3,3,3-trifluoro-N'-hydroxy-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanimidamide
CID 106418420
2-methyl-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 59539260
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55259121
N-(1,2-oxazol-5-ylmethyl)cyclohexanamine
CID 60683537
2-methyl-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 60686052
N-(1,2-oxazol-5-ylmethyl)cyclopentanamine
CID 60687089
N-(1,2-oxazol-5-ylmethyl)cyclopropanamine
CID 60687419
1-cyclopropyl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 61320357
[1-(1,2-Oxazol-5-ylmethyl)piperidin-4-yl]methanamine
CID 61788086
N-methyl-1-[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methanamine
CID 63249009
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63847429
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63847521

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide (CID 106418436) is N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCc2ccno2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is LJYQZEGGXBGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-9(14-15)5-10(2-3-10)7-12-6-8-1-4-13-16-8/h1,4,12,15H,2-3,5-7H2,(H2,11,14).
What are the key properties of N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 224.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 106418436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).