N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

C11H18N4O3 — CID 76930018

IUPACN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)(NC(=O)c1cc(C)no1)C(N)=NO
InChIInChI=1S/C11H18N4O3/c1-4-11(5-2,10(12)14-17)13-9(16)8-6-7(3)15-18-8/h6,17H,4-5H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyNFGFEGDHGWVODJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.02
Rot. Bonds5

About N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 76930018) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID76930018
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)(NC(=O)c1cc(C)no1)C(N)=NO
InChIInChI=1S/C11H18N4O3/c1-4-11(5-2,10(12)14-17)13-9(16)8-6-7(3)15-18-8/h6,17H,4-5H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyNFGFEGDHGWVODJ-UHFFFAOYSA-N
XLogP1.02
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.02
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'}

Analyze N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 76930018) is N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is CCC(CC)(NC(=O)c1cc(C)no1)C(N)=NO.
What is the InChIKey of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is NFGFEGDHGWVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-11(5-2,10(12)14-17)13-9(16)8-6-7(3)15-18-8/h6,17H,4-5H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 76930018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).