N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C14H13FN4O3 — CID 134703607

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1nonc1NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C14H13FN4O3/c1-8(20)16-11-12(19-22-18-11)17-13(21)14(6-7-14)9-4-2-3-5-10(9)15/h2-5H,6-7H2,1H3,(H,16,18,20)(H,17,19,21)
InChIKeyWAEKHGVIKDJIKH-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.84
Rot. Bonds4

About N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 134703607) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID134703607
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1nonc1NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C14H13FN4O3/c1-8(20)16-11-12(19-22-18-11)17-13(21)14(6-7-14)9-4-2-3-5-10(9)15/h2-5H,6-7H2,1H3,(H,16,18,20)(H,17,19,21)
InChIKeyWAEKHGVIKDJIKH-UHFFFAOYSA-N
XLogP1.84
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)cyclopropane-1-carboxamide
CID 110464016
1-(2-fluorophenyl)-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 110463999
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110423595
N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134706373
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438589
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
N-(4-acetamido-1,2,5-oxadiazol-3-yl)acetamide
CID 654039
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 110428117
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 110438323
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
N-(1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134709973

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 134703607) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide is CC(=O)Nc1nonc1NC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is WAEKHGVIKDJIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3/c1-8(20)16-11-12(19-22-18-11)17-13(21)14(6-7-14)9-4-2-3-5-10(9)15/h2-5H,6-7H2,1H3,(H,16,18,20)(H,17,19,21).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 304.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134703607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).