N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

C22H25FN4O3 — CID 75447526

IUPACN-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)C1CCCN1c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1F
InChIInChI=1S/C22H25FN4O3/c1-14(2)17-5-3-11-27(17)18-8-7-15(13-16(18)23)24-20(28)9-10-21-25-22(26-30-21)19-6-4-12-29-19/h4,6-8,12-14,17H,3,5,9-11H2,1-2H3,(H,24,28)
InChIKeyBKYISPXYKYDQIE-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.66
Rot. Bonds7

About N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 75447526) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID75447526
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)C1CCCN1c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1F
InChIInChI=1S/C22H25FN4O3/c1-14(2)17-5-3-11-27(17)18-8-7-15(13-16(18)23)24-20(28)9-10-21-25-22(26-30-21)19-6-4-12-29-19/h4,6-8,12-14,17H,3,5,9-11H2,1-2H3,(H,24,28)
InChIKeyBKYISPXYKYDQIE-UHFFFAOYSA-N
XLogP4.66
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
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3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-piperidin-1-ylphenyl)propanamide
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(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
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3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide
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N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
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[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 75447526) is N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)C1CCCN1c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is BKYISPXYKYDQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-14(2)17-5-3-11-27(17)18-8-7-15(13-16(18)23)24-20(28)9-10-21-25-22(26-30-21)19-6-4-12-29-19/h4,6-8,12-14,17H,3,5,9-11H2,1-2H3,(H,24,28).
What are the key properties of N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 412.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 75447526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).