3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H19FN4O3 — CID 51114664

IUPAC3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1nc(C2(NC(=O)C3CC(c4cccc(F)c4)=NO3)CCCC2)no1
InChIInChI=1S/C18H19FN4O3/c1-11-20-17(23-25-11)18(7-2-3-8-18)21-16(24)15-10-14(22-26-15)12-5-4-6-13(19)9-12/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,21,24)
InChIKeyPJUJEIRTZZJGKN-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.60
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51114664) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51114664
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1nc(C2(NC(=O)C3CC(c4cccc(F)c4)=NO3)CCCC2)no1
InChIInChI=1S/C18H19FN4O3/c1-11-20-17(23-25-11)18(7-2-3-8-18)21-16(24)15-10-14(22-26-15)12-5-4-6-13(19)9-12/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,21,24)
InChIKeyPJUJEIRTZZJGKN-UHFFFAOYSA-N
XLogP2.60
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51114664) is 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1nc(C2(NC(=O)C3CC(c4cccc(F)c4)=NO3)CCCC2)no1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is PJUJEIRTZZJGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-11-20-17(23-25-11)18(7-2-3-8-18)21-16(24)15-10-14(22-26-15)12-5-4-6-13(19)9-12/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,21,24).
What are the key properties of 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51114664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).