(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol

C16H14FN3O2 — CID 20841532

IUPAC(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
SMILESOC(/C=C\c1ccc(Cc2ccc(F)cc2)o1)c1ncn[nH]1
InChIInChI=1S/C16H14FN3O2/c17-12-3-1-11(2-4-12)9-14-6-5-13(22-14)7-8-15(21)16-18-10-19-20-16/h1-8,10,15,21H,9H2,(H,18,19,20)/b8-7-
InChIKeyDDPCQHLEMMXENK-FPLPWBNLSA-N
MW299.31 g/mol
LogP2.87
Rot. Bonds5

About (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol

(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol (PubChem CID 20841532) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
PubChem CID20841532
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
SMILESOC(/C=C\c1ccc(Cc2ccc(F)cc2)o1)c1ncn[nH]1
InChIInChI=1S/C16H14FN3O2/c17-12-3-1-11(2-4-12)9-14-6-5-13(22-14)7-8-15(21)16-18-10-19-20-16/h1-8,10,15,21H,9H2,(H,18,19,20)/b8-7-
InChIKeyDDPCQHLEMMXENK-FPLPWBNLSA-N
XLogP2.87
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol (CID 20841532) is (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol is OC(/C=C\c1ccc(Cc2ccc(F)cc2)o1)c1ncn[nH]1.
What is the InChIKey of (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol?
The InChIKey is DDPCQHLEMMXENK-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-3-1-11(2-4-12)9-14-6-5-13(22-14)7-8-15(21)16-18-10-19-20-16/h1-8,10,15,21H,9H2,(H,18,19,20)/b8-7-.
What are the key properties of (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol?
(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol has a molecular weight of 299.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 20841532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).