trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid

C27H24FN3O4 — CID 91109649

IUPACtrans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid
SMILESCc1cc([C@H]2C[C@@H]2C(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(-c3ccc(F)cc3)c2)n1
InChIInChI=1S/C27H24FN3O4/c1-14(2)34-26-22(16-4-7-19(28)8-5-16)11-18(13-29-26)25-30-24(31-35-25)20-9-6-17(10-15(20)3)21-12-23(21)27(32)33/h4-11,13-14,21,23H,12H2,1-3H3,(H,32,33)/t21-,23+/m1/s1
InChIKeyHEGFTFWMWLDMPI-GGAORHGYSA-N
MW473.50 g/mol
LogP5.89
Rot. Bonds7

About trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid (PubChem CID 91109649) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid
PubChem CID91109649
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Nametrans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid
SMILESCc1cc([C@H]2C[C@@H]2C(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(-c3ccc(F)cc3)c2)n1
InChIInChI=1S/C27H24FN3O4/c1-14(2)34-26-22(16-4-7-19(28)8-5-16)11-18(13-29-26)25-30-24(31-35-25)20-9-6-17(10-15(20)3)21-12-23(21)27(32)33/h4-11,13-14,21,23H,12H2,1-3H3,(H,32,33)/t21-,23+/m1/s1
InChIKeyHEGFTFWMWLDMPI-GGAORHGYSA-N
XLogP5.89
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid 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 trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid (CID 91109649) is trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid is Cc1cc([C@H]2C[C@@H]2C(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(-c3ccc(F)cc3)c2)n1.
What is the InChIKey of trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid?
The InChIKey is HEGFTFWMWLDMPI-GGAORHGYSA-N. The full InChI is InChI=1S/C27H24FN3O4/c1-14(2)34-26-22(16-4-7-19(28)8-5-16)11-18(13-29-26)25-30-24(31-35-25)20-9-6-17(10-15(20)3)21-12-23(21)27(32)33/h4-11,13-14,21,23H,12H2,1-3H3,(H,32,33)/t21-,23+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid has a molecular weight of 473.50 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-[5-[5-(4-fluorophenyl)-6-propan-2-yloxy-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 91109649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).