benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate

C21H24N2O5 — CID 72945655

IUPACbenzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate
SMILESCOc1ccc(N(C)C(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)O2)cc1
InChIInChI=1S/C21H24N2O5/c1-22(17-8-10-18(26-2)11-9-17)20(24)14-19-12-13-23(28-19)21(25)27-15-16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3/t19-/m1/s1
InChIKeyDAWQQWZLUOVNIC-LJQANCHMSA-N
MW384.43 g/mol
LogP3.39
Rot. Bonds6

About benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate

benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate (PubChem CID 72945655) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate
PubChem CID72945655
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namebenzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate
SMILESCOc1ccc(N(C)C(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)O2)cc1
InChIInChI=1S/C21H24N2O5/c1-22(17-8-10-18(26-2)11-9-17)20(24)14-19-12-13-23(28-19)21(25)27-15-16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3/t19-/m1/s1
InChIKeyDAWQQWZLUOVNIC-LJQANCHMSA-N
XLogP3.39
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenylmethoxycarbonyl-1,2-oxazolidin-5-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate?
The IUPAC name of benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate (CID 72945655) is benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate is COc1ccc(N(C)C(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)O2)cc1.
What is the InChIKey of benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate?
The InChIKey is DAWQQWZLUOVNIC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-22(17-8-10-18(26-2)11-9-17)20(24)14-19-12-13-23(28-19)21(25)27-15-16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3/t19-/m1/s1.
What are the key properties of benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate?
benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate has a molecular weight of 384.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5R)-5-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 72945655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).