2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid

C29H23Cl2N3O5 — CID 171350843

IUPAC2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid
SMILESCc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C29H23Cl2N3O5/c1-15-11-18(7-8-19(15)23-13-25(38-33-23)24-12-17(29(35)36)9-10-32-24)37-14-20-27(34-39-28(20)16-5-6-16)26-21(30)3-2-4-22(26)31/h2-4,7-12,16,25H,5-6,13-14H2,1H3,(H,35,36)
InChIKeyVSRLEVVHROGUMA-UHFFFAOYSA-N
MW564.43 g/mol
LogP7.37
Rot. Bonds8

About 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid

2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid (PubChem CID 171350843) has the molecular formula C29H23Cl2N3O5 and a molecular weight of 564.43 g/mol. Its IUPAC name is 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid
PubChem CID171350843
Molecular FormulaC29H23Cl2N3O5
Molecular Weight564.43 g/mol
Exact Mass563.10
IUPAC Name2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid
SMILESCc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C29H23Cl2N3O5/c1-15-11-18(7-8-19(15)23-13-25(38-33-23)24-12-17(29(35)36)9-10-32-24)37-14-20-27(34-39-28(20)16-5-6-16)26-21(30)3-2-4-22(26)31/h2-4,7-12,16,25H,5-6,13-14H2,1H3,(H,35,36)
InChIKeyVSRLEVVHROGUMA-UHFFFAOYSA-N
XLogP7.37
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.43
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid (CID 171350843) is 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid is Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)ccn2)C1.
What is the InChIKey of 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid?
The InChIKey is VSRLEVVHROGUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N3O5/c1-15-11-18(7-8-19(15)23-13-25(38-33-23)24-12-17(29(35)36)9-10-32-24)37-14-20-27(34-39-28(20)16-5-6-16)26-21(30)3-2-4-22(26)31/h2-4,7-12,16,25H,5-6,13-14H2,1H3,(H,35,36).
What are the key properties of 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid?
2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid has a molecular weight of 564.43 g/mol, XLogP of 7.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 171350843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).