(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile

C21H32FN5O2 — CID 46852286

IUPAC(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)c1nc(C[C@@H]2CC[C@](C)(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C2(C)C)no1
InChIInChI=1S/C21H32FN5O2/c1-13(2)19-25-17(26-29-19)8-14-6-7-21(5,20(14,3)4)24-11-18(28)27-12-15(22)9-16(27)10-23/h13-16,24H,6-9,11-12H2,1-5H3/t14-,15-,16-,21-/m0/s1
InChIKeyOBOWLWXCQWBXIK-OSAWLIQMSA-N
MW405.52 g/mol
LogP2.98
Rot. Bonds6

About (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile

(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 46852286) has the molecular formula C21H32FN5O2 and a molecular weight of 405.52 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID46852286
Molecular FormulaC21H32FN5O2
Molecular Weight405.52 g/mol
Exact Mass405.25
IUPAC Name(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)c1nc(C[C@@H]2CC[C@](C)(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C2(C)C)no1
InChIInChI=1S/C21H32FN5O2/c1-13(2)19-25-17(26-29-19)8-14-6-7-21(5,20(14,3)4)24-11-18(28)27-12-15(22)9-16(27)10-23/h13-16,24H,6-9,11-12H2,1-5H3/t14-,15-,16-,21-/m0/s1
InChIKeyOBOWLWXCQWBXIK-OSAWLIQMSA-N
XLogP2.98
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile (CID 46852286) is (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile is CC(C)c1nc(C[C@@H]2CC[C@](C)(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C2(C)C)no1.
What is the InChIKey of (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is OBOWLWXCQWBXIK-OSAWLIQMSA-N. The full InChI is InChI=1S/C21H32FN5O2/c1-13(2)19-25-17(26-29-19)8-14-6-7-21(5,20(14,3)4)24-11-18(28)27-12-15(22)9-16(27)10-23/h13-16,24H,6-9,11-12H2,1-5H3/t14-,15-,16-,21-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile?
(2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 405.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-1-[2-[[(1S,3S)-1,2,2-trimethyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 46852286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).