5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid

C32H33NO5 — CID 143490773

IUPAC5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid
SMILESCc1ccc(OCCCCOc2ccc3c(c2)C(CCCCC(=O)O)c2ccccc2-3)c(-c2ccno2)c1
InChIInChI=1S/C32H33NO5/c1-22-12-15-30(29(20-22)31-16-17-33-38-31)37-19-7-6-18-36-23-13-14-27-25-9-3-2-8-24(25)26(28(27)21-23)10-4-5-11-32(34)35/h2-3,8-9,12-17,20-21,26H,4-7,10-11,18-19H2,1H3,(H,34,35)
InChIKeyIWIZNLKTTMNAPH-UHFFFAOYSA-N
MW511.62 g/mol
LogP7.65
Rot. Bonds13

About 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid

5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid (PubChem CID 143490773) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid.

Molecular Properties

Compound Name5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid
PubChem CID143490773
Molecular FormulaC32H33NO5
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Name5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid
SMILESCc1ccc(OCCCCOc2ccc3c(c2)C(CCCCC(=O)O)c2ccccc2-3)c(-c2ccno2)c1
InChIInChI=1S/C32H33NO5/c1-22-12-15-30(29(20-22)31-16-17-33-38-31)37-19-7-6-18-36-23-13-14-27-25-9-3-2-8-24(25)26(28(27)21-23)10-4-5-11-32(34)35/h2-3,8-9,12-17,20-21,26H,4-7,10-11,18-19H2,1H3,(H,34,35)
InChIKeyIWIZNLKTTMNAPH-UHFFFAOYSA-N
XLogP7.65
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid?
The IUPAC name of 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid (CID 143490773) is 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid.
What is the SMILES notation for 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid?
The canonical SMILES for 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid is Cc1ccc(OCCCCOc2ccc3c(c2)C(CCCCC(=O)O)c2ccccc2-3)c(-c2ccno2)c1.
What is the InChIKey of 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid?
The InChIKey is IWIZNLKTTMNAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5/c1-22-12-15-30(29(20-22)31-16-17-33-38-31)37-19-7-6-18-36-23-13-14-27-25-9-3-2-8-24(25)26(28(27)21-23)10-4-5-11-32(34)35/h2-3,8-9,12-17,20-21,26H,4-7,10-11,18-19H2,1H3,(H,34,35).
What are the key properties of 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid?
5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid has a molecular weight of 511.62 g/mol, XLogP of 7.65, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]-9H-fluoren-9-yl]pentanoic acid is sourced from PubChem (CID 143490773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).