3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid

C24H30N2O6 — CID 155415126

IUPAC3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid
SMILESCc1noc(-c2ccc(OCC3CC(C(=O)O)C3)cc2)c1COC(=O)N(C)C1CCCC1
InChIInChI=1S/C24H30N2O6/c1-15-21(14-31-24(29)26(2)19-5-3-4-6-19)22(32-25-15)17-7-9-20(10-8-17)30-13-16-11-18(12-16)23(27)28/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,27,28)
InChIKeyVEDYYAZWHSLYCI-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.65
Rot. Bonds8

About 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid

3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid (PubChem CID 155415126) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid
PubChem CID155415126
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid
SMILESCc1noc(-c2ccc(OCC3CC(C(=O)O)C3)cc2)c1COC(=O)N(C)C1CCCC1
InChIInChI=1S/C24H30N2O6/c1-15-21(14-31-24(29)26(2)19-5-3-4-6-19)22(32-25-15)17-7-9-20(10-8-17)30-13-16-11-18(12-16)23(27)28/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,27,28)
InChIKeyVEDYYAZWHSLYCI-UHFFFAOYSA-N
XLogP4.65
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid (CID 155415126) is 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid is Cc1noc(-c2ccc(OCC3CC(C(=O)O)C3)cc2)c1COC(=O)N(C)C1CCCC1.
What is the InChIKey of 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is VEDYYAZWHSLYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-15-21(14-31-24(29)26(2)19-5-3-4-6-19)22(32-25-15)17-7-9-20(10-8-17)30-13-16-11-18(12-16)23(27)28/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,27,28).
What are the key properties of 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid?
3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 442.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 155415126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).