2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide

C11H19N5O3 — CID 106421839

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide
SMILESCCCC(C(=O)NCCc1noc(C)n1)C(N)=NO
InChIInChI=1S/C11H19N5O3/c1-3-4-8(10(12)15-18)11(17)13-6-5-9-14-7(2)19-16-9/h8,18H,3-6H2,1-2H3,(H2,12,15)(H,13,17)
InChIKeyIRVGDNYUSVZVLL-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.20
Rot. Bonds7

About 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide

2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide (PubChem CID 106421839) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide
PubChem CID106421839
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide
SMILESCCCC(C(=O)NCCc1noc(C)n1)C(N)=NO
InChIInChI=1S/C11H19N5O3/c1-3-4-8(10(12)15-18)11(17)13-6-5-9-14-7(2)19-16-9/h8,18H,3-6H2,1-2H3,(H2,12,15)(H,13,17)
InChIKeyIRVGDNYUSVZVLL-UHFFFAOYSA-N
XLogP0.20
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926629
2-(N'-hydroxycarbamimidoyl)-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 114186807
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfonylethyl)pentanamide
CID 76926405
(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106420382
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pent-4-enamide
CID 106416066
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide
CID 76927158
2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106416217
N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926351
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 76924102
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 105419941
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79350952

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide (CID 106421839) is 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide is CCCC(C(=O)NCCc1noc(C)n1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
The InChIKey is IRVGDNYUSVZVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-3-4-8(10(12)15-18)11(17)13-6-5-9-14-7(2)19-16-9/h8,18H,3-6H2,1-2H3,(H2,12,15)(H,13,17).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide has a molecular weight of 269.30 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 106421839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).