methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol

C14H13F3N4O2S — CID 167103903

IUPACmethylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol
SMILESCNC(O)c1cccn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C14H13F3N4O2S/c1-18-12(22)9-3-2-6-21(9)7-8-4-5-10(24-8)11-19-13(23-20-11)14(15,16)17/h2-6,12,18,22H,7H2,1H3
InChIKeyFAMVVEFOHXLQQC-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.88
Rot. Bonds5

About methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol

methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol (PubChem CID 167103903) has the molecular formula C14H13F3N4O2S and a molecular weight of 358.35 g/mol. Its IUPAC name is methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Namemethylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol
PubChem CID167103903
Molecular FormulaC14H13F3N4O2S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC Namemethylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol
SMILESCNC(O)c1cccn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C14H13F3N4O2S/c1-18-12(22)9-3-2-6-21(9)7-8-4-5-10(24-8)11-19-13(23-20-11)14(15,16)17/h2-6,12,18,22H,7H2,1H3
InChIKeyFAMVVEFOHXLQQC-UHFFFAOYSA-N
XLogP2.88
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 146304689
3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135318835
N,N-dimethyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazol-3-amine
CID 155074895
N-propan-2-yl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]imidazole-4-carboxamide
CID 155074883
4-methyl-1-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-4-yl]pentan-1-one
CID 158929141
N-phenyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-4-carboxamide
CID 155075020
N-propyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074993
1-[2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-3-yl]propan-1-one
CID 158800038
N-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 142423214
2-ethoxy-1-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-4-yl]ethanone
CID 160999689
N,2-dimethoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 142423273
N-methoxy-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 155074987

Frequently Asked Questions

What is the IUPAC name of methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol?
The IUPAC name of methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol (CID 167103903) is methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol.
What is the SMILES notation for methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol?
The canonical SMILES for methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol is CNC(O)c1cccn1Cc1ccc(-c2noc(C(F)(F)F)n2)s1.
What is the InChIKey of methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol?
The InChIKey is FAMVVEFOHXLQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S/c1-18-12(22)9-3-2-6-21(9)7-8-4-5-10(24-8)11-19-13(23-20-11)14(15,16)17/h2-6,12,18,22H,7H2,1H3.
What are the key properties of methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol?
methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol has a molecular weight of 358.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 167103903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).