1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol

C19H21FN4O2 — CID 154795176

IUPAC1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
SMILESCc1cc(F)ccc1-c1ccc(CN2CC(n3cc(C(C)O)nn3)C2)o1
InChIInChI=1S/C19H21FN4O2/c1-12-7-14(20)3-5-17(12)19-6-4-16(26-19)10-23-8-15(9-23)24-11-18(13(2)25)21-22-24/h3-7,11,13,15,25H,8-10H2,1-2H3
InChIKeyDOODMCPQCCSKEL-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.10
Rot. Bonds5

About 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol

1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol (PubChem CID 154795176) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
PubChem CID154795176
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
SMILESCc1cc(F)ccc1-c1ccc(CN2CC(n3cc(C(C)O)nn3)C2)o1
InChIInChI=1S/C19H21FN4O2/c1-12-7-14(20)3-5-17(12)19-6-4-16(26-19)10-23-8-15(9-23)24-11-18(13(2)25)21-22-24/h3-7,11,13,15,25H,8-10H2,1-2H3
InChIKeyDOODMCPQCCSKEL-UHFFFAOYSA-N
XLogP3.10
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol (CID 154795176) is 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol is Cc1cc(F)ccc1-c1ccc(CN2CC(n3cc(C(C)O)nn3)C2)o1.
What is the InChIKey of 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The InChIKey is DOODMCPQCCSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-12-7-14(20)3-5-17(12)19-6-4-16(26-19)10-23-8-15(9-23)24-11-18(13(2)25)21-22-24/h3-7,11,13,15,25H,8-10H2,1-2H3.
What are the key properties of 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol?
1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol has a molecular weight of 356.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 154795176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).