cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate

C27H36N2O6 — CID 155009391

IUPACcis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCC[C@H](Oc2ccc(-c3conc3COC(=O)N(C)C3CCCC3)cc2)C1
InChIInChI=1S/C27H36N2O6/c1-18(2)34-26(30)20-7-6-10-23(15-20)35-22-13-11-19(12-14-22)24-16-33-28-25(24)17-32-27(31)29(3)21-8-4-5-9-21/h11-14,16,18,20-21,23H,4-10,15,17H2,1-3H3/t20-,23+/m1/s1
InChIKeyVSORIIJGAMCSQZ-OFNKIYASSA-N
MW484.59 g/mol
LogP5.74
Rot. Bonds8

About cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate

cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate (PubChem CID 155009391) has the molecular formula C27H36N2O6 and a molecular weight of 484.59 g/mol. Its IUPAC name is cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate
PubChem CID155009391
Molecular FormulaC27H36N2O6
Molecular Weight484.59 g/mol
Exact Mass484.26
IUPAC Namecis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCC[C@H](Oc2ccc(-c3conc3COC(=O)N(C)C3CCCC3)cc2)C1
InChIInChI=1S/C27H36N2O6/c1-18(2)34-26(30)20-7-6-10-23(15-20)35-22-13-11-19(12-14-22)24-16-33-28-25(24)17-32-27(31)29(3)21-8-4-5-9-21/h11-14,16,18,20-21,23H,4-10,15,17H2,1-3H3/t20-,23+/m1/s1
InChIKeyVSORIIJGAMCSQZ-OFNKIYASSA-N
XLogP5.74
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.59
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate?
The IUPAC name of cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate (CID 155009391) is cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate?
The canonical SMILES for cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate is CC(C)OC(=O)[C@@H]1CCC[C@H](Oc2ccc(-c3conc3COC(=O)N(C)C3CCCC3)cc2)C1.
What is the InChIKey of cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate?
The InChIKey is VSORIIJGAMCSQZ-OFNKIYASSA-N. The full InChI is InChI=1S/C27H36N2O6/c1-18(2)34-26(30)20-7-6-10-23(15-20)35-22-13-11-19(12-14-22)24-16-33-28-25(24)17-32-27(31)29(3)21-8-4-5-9-21/h11-14,16,18,20-21,23H,4-10,15,17H2,1-3H3/t20-,23+/m1/s1.
What are the key properties of cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate?
cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate has a molecular weight of 484.59 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-propan-2-yl (1R,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 155009391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).