4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine

C20H21FN4O2 — CID 72937954

IUPAC4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine
SMILESCOc1ccc(-c2ncnn2Cc2ccc(F)cc2)cc1N1CCOCC1
InChIInChI=1S/C20H21FN4O2/c1-26-19-7-4-16(12-18(19)24-8-10-27-11-9-24)20-22-14-23-25(20)13-15-2-5-17(21)6-3-15/h2-7,12,14H,8-11,13H2,1H3
InChIKeyNSVFYCTYTPTBIR-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.98
Rot. Bonds5

About 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine

4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine (PubChem CID 72937954) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine
PubChem CID72937954
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine
SMILESCOc1ccc(-c2ncnn2Cc2ccc(F)cc2)cc1N1CCOCC1
InChIInChI=1S/C20H21FN4O2/c1-26-19-7-4-16(12-18(19)24-8-10-27-11-9-24)20-22-14-23-25(20)13-15-2-5-17(21)6-3-15/h2-7,12,14H,8-11,13H2,1H3
InChIKeyNSVFYCTYTPTBIR-UHFFFAOYSA-N
XLogP2.98
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine?
The IUPAC name of 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine (CID 72937954) is 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine.
What is the SMILES notation for 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine?
The canonical SMILES for 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine is COc1ccc(-c2ncnn2Cc2ccc(F)cc2)cc1N1CCOCC1.
What is the InChIKey of 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine?
The InChIKey is NSVFYCTYTPTBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-26-19-7-4-16(12-18(19)24-8-10-27-11-9-24)20-22-14-23-25(20)13-15-2-5-17(21)6-3-15/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine?
4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine has a molecular weight of 368.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methoxyphenyl]morpholine is sourced from PubChem (CID 72937954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).