N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide

C16H18FN5O4 — CID 135490303

IUPACN-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)N/C(=N\OCc1ccc(F)cc1)c1nonc1NC(=O)CC
InChIInChI=1S/C16H18FN5O4/c1-3-12(23)18-15(14-16(22-26-20-14)19-13(24)4-2)21-25-9-10-5-7-11(17)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,18,21,23)(H,19,22,24)
InChIKeyQVZCCQCWRVIBJA-UHFFFAOYSA-N
MW363.35 g/mol
LogP1.96
Rot. Bonds7

About N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide

N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 135490303) has the molecular formula C16H18FN5O4 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID135490303
Molecular FormulaC16H18FN5O4
Molecular Weight363.35 g/mol
Exact Mass363.13
IUPAC NameN-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)N/C(=N\OCc1ccc(F)cc1)c1nonc1NC(=O)CC
InChIInChI=1S/C16H18FN5O4/c1-3-12(23)18-15(14-16(22-26-20-14)19-13(24)4-2)21-25-9-10-5-7-11(17)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,18,21,23)(H,19,22,24)
InChIKeyQVZCCQCWRVIBJA-UHFFFAOYSA-N
XLogP1.96
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.96
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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Related Compounds

N-[4-[(Z)-N-acetyl-N'-[(4-fluorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide
CID 135656934
N-[4-[(E)-N-acetyl-N'-[(2-chlorophenyl)methoxy]carbamimidoyl]-1,2,5-oxadiazol-3-yl]acetamide
CID 135912911
ethyl (2Z)-2-[(4-fluorophenyl)methoxyimino]-3-oxobutanoate
CID 23315729
N-[4-[(E)-C-[(3-chloro-4-fluorophenyl)methyl]-N-hydroxycarbonimidoyl]-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 172962402
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]pentanamide
CID 7711361
N-[4-[N'-(3-bromo-4-fluorophenyl)carbamimidoyl]-1,2,5-oxadiazol-3-yl]-3-(4-fluorophenyl)propanamide
CID 70642681
2-[[5-[(E)-C-ethyl-N-[(4-fluorophenyl)methoxy]carbonimidoyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414736
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
N-[N'-[3-[[4-[N'-(3-bromo-4-methylphenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]propyl]carbamimidoyl]-2-(4-fluorophenyl)acetamide
CID 160631855
(4-fluorophenyl)methyl acetate
CID 14793785

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide (CID 135490303) is N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide is CCC(=O)N/C(=N\OCc1ccc(F)cc1)c1nonc1NC(=O)CC.
What is the InChIKey of N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is QVZCCQCWRVIBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O4/c1-3-12(23)18-15(14-16(22-26-20-14)19-13(24)4-2)21-25-9-10-5-7-11(17)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,18,21,23)(H,19,22,24).
What are the key properties of N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide?
N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 363.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N'-[(4-fluorophenyl)methoxy]-N-propanoylcarbamimidoyl]-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 135490303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).