2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide

C10H16N4O3 — CID 114186807

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccno1)C(N)=NO
InChIInChI=1S/C10H16N4O3/c1-2-3-8(9(11)14-16)10(15)12-6-7-4-5-13-17-7/h4-5,8,16H,2-3,6H2,1H3,(H2,11,14)(H,12,15)
InChIKeyRJXFBYHTAXRJLU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.45
Rot. Bonds6

About 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide

2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide (PubChem CID 114186807) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
PubChem CID114186807
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccno1)C(N)=NO
InChIInChI=1S/C10H16N4O3/c1-2-3-8(9(11)14-16)10(15)12-6-7-4-5-13-17-7/h4-5,8,16H,2-3,6H2,1H3,(H2,11,14)(H,12,15)
InChIKeyRJXFBYHTAXRJLU-UHFFFAOYSA-N
XLogP0.45
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.45
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

N-[(3,4-difluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926592
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925463
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide
CID 76927158
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylphenyl)methyl]pentanamide
CID 76925362
3-amino-N-(1,2-oxazol-5-ylmethyl)hexanamide
CID 106417077
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103010119
3-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)-3-sulfanylidenepropanamide
CID 106417909
2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)-2-propylpentanamide
CID 106421903
N-(1,3-benzodioxol-5-ylmethyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76977173
N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926629
(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106416982

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide (CID 114186807) is 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide is CCCC(C(=O)NCc1ccno1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The InChIKey is RJXFBYHTAXRJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-3-8(9(11)14-16)10(15)12-6-7-4-5-13-17-7/h4-5,8,16H,2-3,6H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide has a molecular weight of 240.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 114186807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).