N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine

C17H25FN4O2 — CID 128991000

IUPACN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNC(C)CCc2ccco2)no1
InChIInChI=1S/C17H25FN4O2/c1-12(5-6-16-4-3-7-23-16)19-9-15-8-14(18)10-22(15)11-17-20-13(2)24-21-17/h3-4,7,12,14-15,19H,5-6,8-11H2,1-2H3/t12?,14-,15-/m0/s1
InChIKeyUMCWBIJUGUPYQV-ZRNAQANOSA-N
MW336.41 g/mol
LogP2.49
Rot. Bonds8

About N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 128991000) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID128991000
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNC(C)CCc2ccco2)no1
InChIInChI=1S/C17H25FN4O2/c1-12(5-6-16-4-3-7-23-16)19-9-15-8-14(18)10-22(15)11-17-20-13(2)24-21-17/h3-4,7,12,14-15,19H,5-6,8-11H2,1-2H3/t12?,14-,15-/m0/s1
InChIKeyUMCWBIJUGUPYQV-ZRNAQANOSA-N
XLogP2.49
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine with MolForge

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Related Compounds

(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 129343227
(2S)-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 129338741
4-(furan-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 107911508
3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004063
4-(furan-2-yl)-N-[(2-methylcyclohexyl)methyl]butan-2-amine
CID 55013434
N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55191977
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 128974213
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 103782679
4-(furan-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 62322509
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine (CID 128991000) is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine is Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(C)CCc2ccco2)no1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is UMCWBIJUGUPYQV-ZRNAQANOSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-12(5-6-16-4-3-7-23-16)19-9-15-8-14(18)10-22(15)11-17-20-13(2)24-21-17/h3-4,7,12,14-15,19H,5-6,8-11H2,1-2H3/t12?,14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine?
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 336.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 128991000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).