(2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C23H19Cl2FN2O4 — CID 155263286

About (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155263286) has the molecular formula C23H19Cl2FN2O4 and a molecular weight of 477.32 g/mol. Its IUPAC name is (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155263286
• Molecular Formula: C23H19Cl2FN2O4
• Molecular Weight: 477.32 g/mol
• Exact Mass: 476.07
• IUPAC Name: (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: C=C(CCc1cc(-c2ccc(Cl)c(F)c2)no1)NC(=O)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C23H19Cl2FN2O4/c1-12(2-5-15-10-19(28-32-15)13-3-6-17(25)18(26)8-13)27-23(30)22-11-20(29)16-9-14(24)4-7-21(16)31-22/h3-4,6-10,20,22,29H,1-2,5,11H2,(H,27,30)/t20-,22+/m1/s1
• InChIKey: UTXDJVQVANCEAD-IRLDBZIGSA-N
• XLogP: 5.23
• TPSA: 84.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.32
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155263286) is (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is C=C(CCc1cc(-c2ccc(Cl)c(F)c2)no1)NC(=O)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1.

What is the InChIKey of (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is UTXDJVQVANCEAD-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O4/c1-12(2-5-15-10-19(28-32-15)13-3-6-17(25)18(26)8-13)27-23(30)22-11-20(29)16-9-14(24)4-7-21(16)31-22/h3-4,6-10,20,22,29H,1-2,5,11H2,(H,27,30)/t20-,22+/m1/s1.

What are the key properties of (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

(2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 477.32 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-6-chloro-N-[4-[3-(4-chloro-3-fluorophenyl)-1,2-oxazol-5-yl]but-1-en-2-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155263286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).