4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

C20H25N5O2 — CID 155948624

IUPAC4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(C(C)c3ncc(-c4ccccc4)o3)CCO2)n1
InChIInChI=1S/C20H25N5O2/c1-13(2)18-22-19(24-23-18)17-12-25(9-10-26-17)14(3)20-21-11-16(27-20)15-7-5-4-6-8-15/h4-8,11,13-14,17H,9-10,12H2,1-3H3,(H,22,23,24)
InChIKeyHZJNDMWXWOJSTO-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.72
Rot. Bonds5

About 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 155948624) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID155948624
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(C(C)c3ncc(-c4ccccc4)o3)CCO2)n1
InChIInChI=1S/C20H25N5O2/c1-13(2)18-22-19(24-23-18)17-12-25(9-10-26-17)14(3)20-21-11-16(27-20)15-7-5-4-6-8-15/h4-8,11,13-14,17H,9-10,12H2,1-3H3,(H,22,23,24)
InChIKeyHZJNDMWXWOJSTO-UHFFFAOYSA-N
XLogP3.72
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 155948624) is 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is CC(C)c1n[nH]c(C2CN(C(C)c3ncc(-c4ccccc4)o3)CCO2)n1.
What is the InChIKey of 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is HZJNDMWXWOJSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)18-22-19(24-23-18)17-12-25(9-10-26-17)14(3)20-21-11-16(27-20)15-7-5-4-6-8-15/h4-8,11,13-14,17H,9-10,12H2,1-3H3,(H,22,23,24).
What are the key properties of 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 367.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 155948624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).