4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

C25H26F3N2O7- — CID 154276650

IUPAC4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOc1ccc(COc2ccc(C(=O)CNC(=O)C3(C)COC(C)(C)N3C(=O)[O-])cc2C(F)(F)F)cc1
InChIInChI=1S/C25H27F3N2O7/c1-23(2)30(22(33)34)24(3,14-37-23)21(32)29-12-19(31)16-7-10-20(18(11-16)25(26,27)28)36-13-15-5-8-17(35-4)9-6-15/h5-11H,12-14H2,1-4H3,(H,29,32)(H,33,34)/p-1
InChIKeyNAZCHUKMQNZFPG-UHFFFAOYSA-M
MW523.48 g/mol
LogP2.76
Rot. Bonds8

About 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 154276650) has the molecular formula C25H26F3N2O7- and a molecular weight of 523.48 g/mol. Its IUPAC name is 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID154276650
Molecular FormulaC25H26F3N2O7-
Molecular Weight523.48 g/mol
Exact Mass523.17
IUPAC Name4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOc1ccc(COc2ccc(C(=O)CNC(=O)C3(C)COC(C)(C)N3C(=O)[O-])cc2C(F)(F)F)cc1
InChIInChI=1S/C25H27F3N2O7/c1-23(2)30(22(33)34)24(3,14-37-23)21(32)29-12-19(31)16-7-10-20(18(11-16)25(26,27)28)36-13-15-5-8-17(35-4)9-6-15/h5-11H,12-14H2,1-4H3,(H,29,32)(H,33,34)/p-1
InChIKeyNAZCHUKMQNZFPG-UHFFFAOYSA-M
XLogP2.76
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
tert-butyl (4R)-2,2,4-trimethyl-4-[[[4-prop-2-enoxy-3-(trifluoromethyl)benzoyl]amino]carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 59384294
tert-butyl 4-[[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-3-(trifluoromethyl)benzoyl]amino]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 72529202
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
CID 175227608
(1S)-2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134248619
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
tert-butyl (4S)-4-ethynyl-2,2-dimethyl-4-[[[4-(3-phenylmethoxypropoxy)-3-(trifluoromethyl)benzoyl]amino]carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 143621996
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 108808081
tert-butyl (4S)-2,2-dimethyl-4-[[[4-phenylmethoxy-3-(trifluoromethyl)benzoyl]amino]carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 143621903
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (CID 154276650) is 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is COc1ccc(COc2ccc(C(=O)CNC(=O)C3(C)COC(C)(C)N3C(=O)[O-])cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is NAZCHUKMQNZFPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H27F3N2O7/c1-23(2)30(22(33)34)24(3,14-37-23)21(32)29-12-19(31)16-7-10-20(18(11-16)25(26,27)28)36-13-15-5-8-17(35-4)9-6-15/h5-11H,12-14H2,1-4H3,(H,29,32)(H,33,34)/p-1.
What are the key properties of 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 523.48 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 154276650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).