1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide

C12H18N4O3 — CID 106375713

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(/C(N)=N/O)CC(C)C2)o1
InChIInChI=1S/C12H18N4O3/c1-7-3-12(4-7,10(13)16-18)11(17)15-6-9-14-5-8(2)19-9/h5,7,18H,3-4,6H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyWKHOUFIWLDBGSB-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.76
Rot. Bonds4

About 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 106375713) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID106375713
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(/C(N)=N/O)CC(C)C2)o1
InChIInChI=1S/C12H18N4O3/c1-7-3-12(4-7,10(13)16-18)11(17)15-6-9-14-5-8(2)19-9/h5,7,18H,3-4,6H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyWKHOUFIWLDBGSB-UHFFFAOYSA-N
XLogP0.76
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.76
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 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-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 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide (CID 106375713) is 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide is Cc1cnc(CNC(=O)C2(/C(N)=N/O)CC(C)C2)o1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is WKHOUFIWLDBGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-3-12(4-7,10(13)16-18)11(17)15-6-9-14-5-8(2)19-9/h5,7,18H,3-4,6H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106375713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).