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

C20H23NO4 — CID 12010031

IUPACmethyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(C)C)OC(=O)N1[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C20H23NO4/c1-12(2)18-17(19(22)24-4)21(20(23)25-18)13(3)15-11-7-9-14-8-5-6-10-16(14)15/h5-13,17-18H,1-4H3/t13-,17?,18?/m1/s1
InChIKeyPHFAVSAGLKTZND-NLNFPOJYSA-N
MW341.41 g/mol
LogP3.92
Rot. Bonds4

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

methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate (PubChem CID 12010031) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
PubChem CID12010031
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(C)C)OC(=O)N1[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C20H23NO4/c1-12(2)18-17(19(22)24-4)21(20(23)25-18)13(3)15-11-7-9-14-8-5-6-10-16(14)15/h5-13,17-18H,1-4H3/t13-,17?,18?/m1/s1
InChIKeyPHFAVSAGLKTZND-NLNFPOJYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14383325
5-ethyl-3a-methoxy-1-(1-naphthalen-1-ylethyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one
CID 10132757
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl 3-[5-methoxy-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazol-4-yl]propanoate
CID 18474909
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
N-[(1R)-1-naphthalen-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 95276423
trimethoxy(1-naphthalen-1-ylethyl)silane
CID 90121509
2-naphthalen-1-ylpropanehydrazide
CID 116843953
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 3-hydroperoxy-3-naphthalen-1-ylpropanoate
CID 89115369
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate (CID 12010031) is methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate is COC(=O)C1C(C(C)C)OC(=O)N1[C@H](C)c1cccc2ccccc12.
What is the InChIKey of methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The InChIKey is PHFAVSAGLKTZND-NLNFPOJYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-12(2)18-17(19(22)24-4)21(20(23)25-18)13(3)15-11-7-9-14-8-5-6-10-16(14)15/h5-13,17-18H,1-4H3/t13-,17?,18?/m1/s1.
What are the key properties of methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 12010031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).