(2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide

C17H22FN5O2 — CID 98772567

IUPAC(2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide
SMILESCc1nc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)no1
InChIInChI=1S/C17H22FN5O2/c1-11-20-15(21-25-11)10-22(2)14-7-8-23(9-14)16(17(19)24)12-3-5-13(18)6-4-12/h3-6,14,16H,7-10H2,1-2H3,(H2,19,24)/t14-,16+/m0/s1
InChIKeyLBEYWJXVLWXYQN-GOEBONIOSA-N
MW347.39 g/mol
LogP1.25
Rot. Bonds6

About (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide

(2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide (PubChem CID 98772567) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide
PubChem CID98772567
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide
SMILESCc1nc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)no1
InChIInChI=1S/C17H22FN5O2/c1-11-20-15(21-25-11)10-22(2)14-7-8-23(9-14)16(17(19)24)12-3-5-13(18)6-4-12/h3-6,14,16H,7-10H2,1-2H3,(H2,19,24)/t14-,16+/m0/s1
InChIKeyLBEYWJXVLWXYQN-GOEBONIOSA-N
XLogP1.25
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide (CID 98772567) is (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide is Cc1nc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)no1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide?
The InChIKey is LBEYWJXVLWXYQN-GOEBONIOSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-11-20-15(21-25-11)10-22(2)14-7-8-23(9-14)16(17(19)24)12-3-5-13(18)6-4-12/h3-6,14,16H,7-10H2,1-2H3,(H2,19,24)/t14-,16+/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide?
(2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 98772567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).