5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide

C16H18FN5O3 — CID 74242097

IUPAC5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NCCc2nc(C3CC3)no2)ccc1F
InChIInChI=1S/C16H18FN5O3/c1-18-15(23)11-8-10(4-5-12(11)17)20-16(24)19-7-6-13-21-14(22-25-13)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,23)(H2,19,20,24)
InChIKeyJKBPYPKBYORERF-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.81
Rot. Bonds6

About 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide

5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide (PubChem CID 74242097) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide
PubChem CID74242097
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC Name5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)NCCc2nc(C3CC3)no2)ccc1F
InChIInChI=1S/C16H18FN5O3/c1-18-15(23)11-8-10(4-5-12(11)17)20-16(24)19-7-6-13-21-14(22-25-13)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,23)(H2,19,20,24)
InChIKeyJKBPYPKBYORERF-UHFFFAOYSA-N
XLogP1.81
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
CID 100616994
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 49285829
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 77092585
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea
CID 90562232
1-(4-chlorophenyl)-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562228
N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592
5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 95905887
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide
CID 171697988
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylacetamide
CID 77095090
2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
CID 47063305

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide (CID 74242097) is 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(NC(=O)NCCc2nc(C3CC3)no2)ccc1F.
What is the InChIKey of 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide?
The InChIKey is JKBPYPKBYORERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c1-18-15(23)11-8-10(4-5-12(11)17)20-16(24)19-7-6-13-21-14(22-25-13)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,23)(H2,19,20,24).
What are the key properties of 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide?
5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide has a molecular weight of 347.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 74242097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).