N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide

C14H14FN5O4 — CID 135656934

IUPACN-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)N/C(=N\OCc1ccc(F)cc1)c1nonc1NC(C)=O
InChIInChI=1S/C14H14FN5O4/c1-8(21)16-13(12-14(17-9(2)22)20-24-18-12)19-23-7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,16,19,21)(H,17,20,22)
InChIKeyQHDXFTXXFKCRNK-UHFFFAOYSA-N
MW335.30 g/mol
LogP1.18
Rot. Bonds5

About N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide

N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 135656934) has the molecular formula C14H14FN5O4 and a molecular weight of 335.30 g/mol. Its IUPAC name is N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID135656934
Molecular FormulaC14H14FN5O4
Molecular Weight335.30 g/mol
Exact Mass335.10
IUPAC NameN-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)N/C(=N\OCc1ccc(F)cc1)c1nonc1NC(C)=O
InChIInChI=1S/C14H14FN5O4/c1-8(21)16-13(12-14(17-9(2)22)20-24-18-12)19-23-7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,16,19,21)(H,17,20,22)
InChIKeyQHDXFTXXFKCRNK-UHFFFAOYSA-N
XLogP1.18
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide (CID 135656934) is N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)N/C(=N\OCc1ccc(F)cc1)c1nonc1NC(C)=O.
What is the InChIKey of N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is QHDXFTXXFKCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O4/c1-8(21)16-13(12-14(17-9(2)22)20-24-18-12)19-23-7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,16,19,21)(H,17,20,22).
What are the key properties of N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 335.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 135656934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).