N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C15H15FN4O3 — CID 42216692

IUPACN-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN4O3/c1-9-14(19-23-18-9)15(22)17-12-6-13(21)20(8-12)7-10-2-4-11(16)5-3-10/h2-5,12H,6-8H2,1H3,(H,17,22)/t12-/m0/s1
InChIKeyMFHCCTBPNXQURG-LBPRGKRZSA-N
MW318.31 g/mol
LogP1.05
Rot. Bonds4

About N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 42216692) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID42216692
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC NameN-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN4O3/c1-9-14(19-23-18-9)15(22)17-12-6-13(21)20(8-12)7-10-2-4-11(16)5-3-10/h2-5,12H,6-8H2,1H3,(H,17,22)/t12-/m0/s1
InChIKeyMFHCCTBPNXQURG-LBPRGKRZSA-N
XLogP1.05
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 42216692) is N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MFHCCTBPNXQURG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-9-14(19-23-18-9)15(22)17-12-6-13(21)20(8-12)7-10-2-4-11(16)5-3-10/h2-5,12H,6-8H2,1H3,(H,17,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 42216692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).