cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate

C34H37NO5 — CID 58120035

IUPACcyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate
SMILESCc1ccc(-c2cc(CC(=O)OCC3CC3)ccc2OCC2CC2)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1
InChIInChI=1S/C34H37NO5/c1-22-8-14-29(28(16-22)19-35-23(2)33(40-34(35)37)27-6-4-3-5-7-27)30-17-26(18-32(36)39-21-25-11-12-25)13-15-31(30)38-20-24-9-10-24/h3-8,13-17,23-25,33H,9-12,18-21H2,1-2H3/t23-,33-/m0/s1
InChIKeyBDHOKRLZQGLSLZ-WYOOIXGGSA-N
MW539.67 g/mol
LogP7.03
Rot. Bonds11

About cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate

cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate (PubChem CID 58120035) has the molecular formula C34H37NO5 and a molecular weight of 539.67 g/mol. Its IUPAC name is cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate
PubChem CID58120035
Molecular FormulaC34H37NO5
Molecular Weight539.67 g/mol
Exact Mass539.27
IUPAC Namecyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate
SMILESCc1ccc(-c2cc(CC(=O)OCC3CC3)ccc2OCC2CC2)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1
InChIInChI=1S/C34H37NO5/c1-22-8-14-29(28(16-22)19-35-23(2)33(40-34(35)37)27-6-4-3-5-7-27)30-17-26(18-32(36)39-21-25-11-12-25)13-15-31(30)38-20-24-9-10-24/h3-8,13-17,23-25,33H,9-12,18-21H2,1-2H3/t23-,33-/m0/s1
InChIKeyBDHOKRLZQGLSLZ-WYOOIXGGSA-N
XLogP7.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.67
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate?
The IUPAC name of cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate (CID 58120035) is cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate.
What is the SMILES notation for cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate?
The canonical SMILES for cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate is Cc1ccc(-c2cc(CC(=O)OCC3CC3)ccc2OCC2CC2)c(CN2C(=O)O[C@H](c3ccccc3)[C@@H]2C)c1.
What is the InChIKey of cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate?
The InChIKey is BDHOKRLZQGLSLZ-WYOOIXGGSA-N. The full InChI is InChI=1S/C34H37NO5/c1-22-8-14-29(28(16-22)19-35-23(2)33(40-34(35)37)27-6-4-3-5-7-27)30-17-26(18-32(36)39-21-25-11-12-25)13-15-31(30)38-20-24-9-10-24/h3-8,13-17,23-25,33H,9-12,18-21H2,1-2H3/t23-,33-/m0/s1.
What are the key properties of cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate?
cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate has a molecular weight of 539.67 g/mol, XLogP of 7.03, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate is sourced from PubChem (CID 58120035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).