4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine

C25H26N4O3 — CID 119052045

IUPAC4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine
SMILESc1ccc(COCc2nnc(N3CCOC(c4ccco4)C3)n2Cc2ccccc2)cc1
InChIInChI=1S/C25H26N4O3/c1-3-8-20(9-4-1)16-29-24(19-30-18-21-10-5-2-6-11-21)26-27-25(29)28-13-15-32-23(17-28)22-12-7-14-31-22/h1-12,14,23H,13,15-19H2
InChIKeyKXGNSEIFWYAESW-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.21
Rot. Bonds8

About 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine

4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine (PubChem CID 119052045) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine.

Molecular Properties

Compound Name4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine
PubChem CID119052045
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine
SMILESc1ccc(COCc2nnc(N3CCOC(c4ccco4)C3)n2Cc2ccccc2)cc1
InChIInChI=1S/C25H26N4O3/c1-3-8-20(9-4-1)16-29-24(19-30-18-21-10-5-2-6-11-21)26-27-25(29)28-13-15-32-23(17-28)22-12-7-14-31-22/h1-12,14,23H,13,15-19H2
InChIKeyKXGNSEIFWYAESW-UHFFFAOYSA-N
XLogP4.21
TPSA65.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine?
The IUPAC name of 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine (CID 119052045) is 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine.
What is the SMILES notation for 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine?
The canonical SMILES for 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine is c1ccc(COCc2nnc(N3CCOC(c4ccco4)C3)n2Cc2ccccc2)cc1.
What is the InChIKey of 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine?
The InChIKey is KXGNSEIFWYAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-3-8-20(9-4-1)16-29-24(19-30-18-21-10-5-2-6-11-21)26-27-25(29)28-13-15-32-23(17-28)22-12-7-14-31-22/h1-12,14,23H,13,15-19H2.
What are the key properties of 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine?
4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine has a molecular weight of 430.51 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-2-(furan-2-yl)morpholine is sourced from PubChem (CID 119052045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).