ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate

C17H21NO5 — CID 135345499

IUPACethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C1CN(Cc2ccc(OC)cc2)C(=O)O1
InChIInChI=1S/C17H21NO5/c1-3-22-16(19)14-8-13(14)15-10-18(17(20)23-15)9-11-4-6-12(21-2)7-5-11/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeyHUVFERCCIXSBFA-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.22
Rot. Bonds6

About ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate

ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate (PubChem CID 135345499) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate
PubChem CID135345499
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Nameethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C1CN(Cc2ccc(OC)cc2)C(=O)O1
InChIInChI=1S/C17H21NO5/c1-3-22-16(19)14-8-13(14)15-10-18(17(20)23-15)9-11-4-6-12(21-2)7-5-11/h4-7,13-15H,3,8-10H2,1-2H3
InChIKeyHUVFERCCIXSBFA-UHFFFAOYSA-N
XLogP2.22
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
ethyl 1-[(4-methoxyphenyl)methyl]-4-methylidene-2-oxopyrrolidine-3-carboxylate
CID 134841852
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
ethyl 6-hydroxy-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-diazepane-1-carboxylate
CID 118738613
ethyl (1R,6R,7R)-2-[(4-methoxyphenyl)methyl]-3-oxo-2-azabicyclo[4.1.0]heptane-7-carboxylate
CID 102388232
ethyl 1-[(4-methoxyphenyl)methyl]-4-oxopiperidine-2-carboxylate
CID 70117021
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide
CID 135345298
ethyl (3R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylate
CID 139562097
3-benzyl-5-[1-(4-methoxyphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 102222629
ethyl 4-[[(4S)-1-[(4-methoxyphenyl)methyl]-7-oxoazepan-4-yl]amino]piperidine-1-carboxylate
CID 42472873
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
ethyl (3R,4S)-1-benzyl-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 172878554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate (CID 135345499) is ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1C1CN(Cc2ccc(OC)cc2)C(=O)O1.
What is the InChIKey of ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate?
The InChIKey is HUVFERCCIXSBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-3-22-16(19)14-8-13(14)15-10-18(17(20)23-15)9-11-4-6-12(21-2)7-5-11/h4-7,13-15H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate?
ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 135345499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).