1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one

C27H29FN2O6 — CID 161493482

IUPAC1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one
SMILESCC[C@@H](Oc1ccc(C(=O)C2CC2)cc1)c1nc(-c2ccc(CC(=O)CC(CO)CO)c(F)c2)no1
InChIInChI=1S/C27H29FN2O6/c1-2-24(35-22-9-7-18(8-10-22)25(34)17-3-4-17)27-29-26(30-36-27)20-6-5-19(23(28)13-20)12-21(33)11-16(14-31)15-32/h5-10,13,16-17,24,31-32H,2-4,11-12,14-15H2,1H3/t24-/m1/s1
InChIKeyWFXAEWJPDPLYID-XMMPIXPASA-N
MW496.54 g/mol
LogP4.10
Rot. Bonds13

About 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one

1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one (PubChem CID 161493482) has the molecular formula C27H29FN2O6 and a molecular weight of 496.54 g/mol. Its IUPAC name is 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one.

Molecular Properties

Compound Name1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one
PubChem CID161493482
Molecular FormulaC27H29FN2O6
Molecular Weight496.54 g/mol
Exact Mass496.20
IUPAC Name1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one
SMILESCC[C@@H](Oc1ccc(C(=O)C2CC2)cc1)c1nc(-c2ccc(CC(=O)CC(CO)CO)c(F)c2)no1
InChIInChI=1S/C27H29FN2O6/c1-2-24(35-22-9-7-18(8-10-22)25(34)17-3-4-17)27-29-26(30-36-27)20-6-5-19(23(28)13-20)12-21(33)11-16(14-31)15-32/h5-10,13,16-17,24,31-32H,2-4,11-12,14-15H2,1H3/t24-/m1/s1
InChIKeyWFXAEWJPDPLYID-XMMPIXPASA-N
XLogP4.10
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one?
The IUPAC name of 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one (CID 161493482) is 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one.
What is the SMILES notation for 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one?
The canonical SMILES for 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one is CC[C@@H](Oc1ccc(C(=O)C2CC2)cc1)c1nc(-c2ccc(CC(=O)CC(CO)CO)c(F)c2)no1.
What is the InChIKey of 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one?
The InChIKey is WFXAEWJPDPLYID-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29FN2O6/c1-2-24(35-22-9-7-18(8-10-22)25(34)17-3-4-17)27-29-26(30-36-27)20-6-5-19(23(28)13-20)12-21(33)11-16(14-31)15-32/h5-10,13,16-17,24,31-32H,2-4,11-12,14-15H2,1H3/t24-/m1/s1.
What are the key properties of 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one?
1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one has a molecular weight of 496.54 g/mol, XLogP of 4.10, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-5-hydroxy-4-(hydroxymethyl)pentan-2-one is sourced from PubChem (CID 161493482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).