propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate

C20H23NO4 — CID 18474929

IUPACpropan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1C(C)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C20H23NO4/c1-12(2)24-19(22)18-14(4)25-20(23)21(18)13(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-14,18H,1-4H3
InChIKeyLQGPNWRRIDYNIF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.06
Rot. Bonds4

About propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate

propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 18474929) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID18474929
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1C(C)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C20H23NO4/c1-12(2)24-19(22)18-14(4)25-20(23)21(18)13(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-14,18H,1-4H3
InChIKeyLQGPNWRRIDYNIF-UHFFFAOYSA-N
XLogP4.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Hydroxymethyl)-3-[(4-methyl-1-naphthyl)methyl]-1,3-oxazolidin-2-one
CID 72874332
Ethyl 3-ethoxy-2-[fluoro(naphthalene-1-carbonyl)amino]propanoate
CID 88995654
methyl 3-acetyloxy-2-[[3-fluoro-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl-propylamino]butanoate
CID 138632830
1-O-tert-butyl 2-O-methyl (2R,4Z)-4-[(4-fluoronaphthalen-1-yl)methylidene]pyrrolidine-1,2-dicarboxylate
CID 176085183
(4S)-3-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14383313
(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14383325
(4R)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
CID 71503485
(4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
CID 101481067
(4S)-2,2-dimethyl-3-(naphthalene-1-carbonyl)-4-propan-2-yl-1,3-oxazolidin-5-one
CID 101838947
(4S)-3-[(1S)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134905478
(4S)-3-[(1S)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134905744
(4S)-3-[(1R)-1-naphthalen-1-ylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135050413

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 18474929) is propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate is CC(C)OC(=O)C1C(C)OC(=O)N1C(C)c1cccc2ccccc12.
What is the InChIKey of propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is LQGPNWRRIDYNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-12(2)24-19(22)18-14(4)25-20(23)21(18)13(3)16-11-7-9-15-8-5-6-10-17(15)16/h5-14,18H,1-4H3.
What are the key properties of propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-methyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).