5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

C30H27ClN2O5 — CID 59335787

IUPAC5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC2(C(=O)O)Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1
InChIInChI=1S/C30H27ClN2O5/c1-18-27(19(2)38-33-18)17-37-26-11-3-20(4-12-26)13-28(34)32-30(29(35)36)15-23-6-5-22(14-24(23)16-30)21-7-9-25(31)10-8-21/h3-12,14H,13,15-17H2,1-2H3,(H,32,34)(H,35,36)
InChIKeyYHGIBRVIPZSSBE-UHFFFAOYSA-N
MW531.01 g/mol
LogP5.47
Rot. Bonds8

About 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335787) has the molecular formula C30H27ClN2O5 and a molecular weight of 531.01 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59335787
Molecular FormulaC30H27ClN2O5
Molecular Weight531.01 g/mol
Exact Mass530.16
IUPAC Name5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1noc(C)c1COc1ccc(CC(=O)NC2(C(=O)O)Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1
InChIInChI=1S/C30H27ClN2O5/c1-18-27(19(2)38-33-18)17-37-26-11-3-20(4-12-26)13-28(34)32-30(29(35)36)15-23-6-5-22(14-24(23)16-30)21-7-9-25(31)10-8-21/h3-12,14H,13,15-17H2,1-2H3,(H,32,34)(H,35,36)
InChIKeyYHGIBRVIPZSSBE-UHFFFAOYSA-N
XLogP5.47
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.01
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 59335787) is 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is Cc1noc(C)c1COc1ccc(CC(=O)NC2(C(=O)O)Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is YHGIBRVIPZSSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN2O5/c1-18-27(19(2)38-33-18)17-37-26-11-3-20(4-12-26)13-28(34)32-30(29(35)36)15-23-6-5-22(14-24(23)16-30)21-7-9-25(31)10-8-21/h3-12,14H,13,15-17H2,1-2H3,(H,32,34)(H,35,36).
What are the key properties of 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 531.01 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).