[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

C16H19F3N4O2 — CID 123961632

IUPAC[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCN1CCCC(NC(O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C16H19F3N4O2/c1-23-8-2-3-12(9-23)20-14(24)11-6-4-10(5-7-11)13-21-15(25-22-13)16(17,18)19/h4-7,12,14,20,24H,2-3,8-9H2,1H3
InChIKeyNFWLDUTYISWYST-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.43
Rot. Bonds4

About [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 123961632) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID123961632
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCN1CCCC(NC(O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C16H19F3N4O2/c1-23-8-2-3-12(9-23)20-14(24)11-6-4-10(5-7-11)13-21-15(25-22-13)16(17,18)19/h4-7,12,14,20,24H,2-3,8-9H2,1H3
InChIKeyNFWLDUTYISWYST-UHFFFAOYSA-N
XLogP2.43
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2,2,2-trifluoro-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]cyclopropanamine
CID 135353236
N-cyclobutyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230838
N-cyclooctyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489709
3-(2-methylpropyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidine-1-carboxamide
CID 126793429
4-(1-hydroxyethyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-1-carboxamide
CID 126775780
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethane-1,2-diol
CID 155192965
pyrrolidin-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 71230722
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71557005
3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 156903080
N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 71230828
azepan-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777416
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960

Frequently Asked Questions

What is the IUPAC name of [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 123961632) is [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is CN1CCCC(NC(O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1.
What is the InChIKey of [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is NFWLDUTYISWYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-23-8-2-3-12(9-23)20-14(24)11-6-4-10(5-7-11)13-21-15(25-22-13)16(17,18)19/h4-7,12,14,20,24H,2-3,8-9H2,1H3.
What are the key properties of [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 356.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 123961632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).