1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone

C23H24N2O3 — CID 145445509

IUPAC1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1onc(-c2cc(C(C)C)ccc2O)c1-c1ccc2c(c1)CCNC2
InChIInChI=1S/C23H24N2O3/c1-13(2)15-6-7-20(27)19(11-15)22-21(23(14(3)26)28-25-22)17-4-5-18-12-24-9-8-16(18)10-17/h4-7,10-11,13,24,27H,8-9,12H2,1-3H3
InChIKeyDZNHMIPMVMGTNW-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.69
Rot. Bonds4

About 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone

1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone (PubChem CID 145445509) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone
PubChem CID145445509
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1onc(-c2cc(C(C)C)ccc2O)c1-c1ccc2c(c1)CCNC2
InChIInChI=1S/C23H24N2O3/c1-13(2)15-6-7-20(27)19(11-15)22-21(23(14(3)26)28-25-22)17-4-5-18-12-24-9-8-16(18)10-17/h4-7,10-11,13,24,27H,8-9,12H2,1-3H3
InChIKeyDZNHMIPMVMGTNW-UHFFFAOYSA-N
XLogP4.69
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone?
The IUPAC name of 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone (CID 145445509) is 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone is CC(=O)c1onc(-c2cc(C(C)C)ccc2O)c1-c1ccc2c(c1)CCNC2.
What is the InChIKey of 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone?
The InChIKey is DZNHMIPMVMGTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-13(2)15-6-7-20(27)19(11-15)22-21(23(14(3)26)28-25-22)17-4-5-18-12-24-9-8-16(18)10-17/h4-7,10-11,13,24,27H,8-9,12H2,1-3H3.
What are the key properties of 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone?
1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxy-5-propan-2-ylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 145445509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).