methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate

C22H25NO5 — CID 19847755

IUPACmethyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)c1ccc(CCCN2CC(c3ccccc3)OC2C(=O)OC)cc1
InChIInChI=1S/C22H25NO5/c1-26-21(24)18-12-10-16(11-13-18)7-6-14-23-15-19(17-8-4-3-5-9-17)28-20(23)22(25)27-2/h3-5,8-13,19-20H,6-7,14-15H2,1-2H3
InChIKeyFDINSOPGCLNFMK-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.98
Rot. Bonds7

About methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate

methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate (PubChem CID 19847755) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
PubChem CID19847755
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namemethyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)c1ccc(CCCN2CC(c3ccccc3)OC2C(=O)OC)cc1
InChIInChI=1S/C22H25NO5/c1-26-21(24)18-12-10-16(11-13-18)7-6-14-23-15-19(17-8-4-3-5-9-17)28-20(23)22(25)27-2/h3-5,8-13,19-20H,6-7,14-15H2,1-2H3
InChIKeyFDINSOPGCLNFMK-UHFFFAOYSA-N
XLogP2.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
CID 19847766
methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate
CID 70392778
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
methyl 4-[(2R,6S)-6-(4-methoxycarbonylphenyl)-4-phenyloxan-2-yl]benzoate
CID 42604041
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]benzoate
CID 79038440
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
methyl 2-(3-phenylpropyl)indazole-6-carboxylate
CID 24953212
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The IUPAC name of methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate (CID 19847755) is methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The canonical SMILES for methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate is COC(=O)c1ccc(CCCN2CC(c3ccccc3)OC2C(=O)OC)cc1.
What is the InChIKey of methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The InChIKey is FDINSOPGCLNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-26-21(24)18-12-10-16(11-13-18)7-6-14-23-15-19(17-8-4-3-5-9-17)28-20(23)22(25)27-2/h3-5,8-13,19-20H,6-7,14-15H2,1-2H3.
What are the key properties of methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate has a molecular weight of 383.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-methoxycarbonylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 19847755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).