1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine

C21H26FN5O — CID 118010480

IUPAC1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine
SMILESCC(C)c1nc(-c2ccc(F)c(-n3cccc3CN3CCC(N)CC3)c2)no1
InChIInChI=1S/C21H26FN5O/c1-14(2)21-24-20(25-28-21)15-5-6-18(22)19(12-15)27-9-3-4-17(27)13-26-10-7-16(23)8-11-26/h3-6,9,12,14,16H,7-8,10-11,13,23H2,1-2H3
InChIKeyUQUGYWWTDRGHNX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.71
Rot. Bonds5

About 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine

1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine (PubChem CID 118010480) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine
PubChem CID118010480
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine
SMILESCC(C)c1nc(-c2ccc(F)c(-n3cccc3CN3CCC(N)CC3)c2)no1
InChIInChI=1S/C21H26FN5O/c1-14(2)21-24-20(25-28-21)15-5-6-18(22)19(12-15)27-9-3-4-17(27)13-26-10-7-16(23)8-11-26/h3-6,9,12,14,16H,7-8,10-11,13,23H2,1-2H3
InChIKeyUQUGYWWTDRGHNX-UHFFFAOYSA-N
XLogP3.71
TPSA73.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine
CID 166360940
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]ethanamine
CID 119920805
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774953
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
tert-butyl N-[1-[[4-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]carbamate
CID 118018828
2-[[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 78898819
(3S,4R)-1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761882

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine (CID 118010480) is 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine is CC(C)c1nc(-c2ccc(F)c(-n3cccc3CN3CCC(N)CC3)c2)no1.
What is the InChIKey of 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine?
The InChIKey is UQUGYWWTDRGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-14(2)21-24-20(25-28-21)15-5-6-18(22)19(12-15)27-9-3-4-17(27)13-26-10-7-16(23)8-11-26/h3-6,9,12,14,16H,7-8,10-11,13,23H2,1-2H3.
What are the key properties of 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine?
1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine has a molecular weight of 383.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-fluoro-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrol-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 118010480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).