tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate

C28H34N2O4 — CID 148558055

IUPACtert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate
SMILESCc1ccc(/C=C/c2nc(COc3ccc(CCCCNC(=O)OC(C)(C)C)cc3)co2)cc1
InChIInChI=1S/C28H34N2O4/c1-21-8-10-23(11-9-21)14-17-26-30-24(20-33-26)19-32-25-15-12-22(13-16-25)7-5-6-18-29-27(31)34-28(2,3)4/h8-17,20H,5-7,18-19H2,1-4H3,(H,29,31)/b17-14+
InChIKeyMULLTOWPZVHYIL-SAPNQHFASA-N
MW462.59 g/mol
LogP6.58
Rot. Bonds10

About tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate

tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate (PubChem CID 148558055) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate
PubChem CID148558055
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Nametert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate
SMILESCc1ccc(/C=C/c2nc(COc3ccc(CCCCNC(=O)OC(C)(C)C)cc3)co2)cc1
InChIInChI=1S/C28H34N2O4/c1-21-8-10-23(11-9-21)14-17-26-30-24(20-33-26)19-32-25-15-12-22(13-16-25)7-5-6-18-29-27(31)34-28(2,3)4/h8-17,20H,5-7,18-19H2,1-4H3,(H,29,31)/b17-14+
InChIKeyMULLTOWPZVHYIL-SAPNQHFASA-N
XLogP6.58
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate 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

diethyl 1-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazole-4,5-dicarboxylate
CID 163692748
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
N-prop-2-ynyl-4-[2-[4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazol-2-yl]ethenyl]benzamide
CID 175063422
tert-butyl N-[2-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]ethyl]carbamate
CID 91992024
2-[(E)-2-phenylethenyl]-4-[(4-propylphenoxy)methyl]-1,3-oxazole
CID 173184404
2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
CID 54126374
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
CID 11500545
4-[[4-(4-pyridin-2-ylbutyl)phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
CID 139970287
CID 173172773
CID 173172773
ethyl N-propan-2-yl-N-[1-[4-[4-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazol-4-yl]carbamate
CID 175062000
2,2,2-trifluoro-N-[2-[1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]imidazol-2-yl]ethyl]ethanesulfonamide
CID 22259308

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate (CID 148558055) is tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate is Cc1ccc(/C=C/c2nc(COc3ccc(CCCCNC(=O)OC(C)(C)C)cc3)co2)cc1.
What is the InChIKey of tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate?
The InChIKey is MULLTOWPZVHYIL-SAPNQHFASA-N. The full InChI is InChI=1S/C28H34N2O4/c1-21-8-10-23(11-9-21)14-17-26-30-24(20-33-26)19-32-25-15-12-22(13-16-25)7-5-6-18-29-27(31)34-28(2,3)4/h8-17,20H,5-7,18-19H2,1-4H3,(H,29,31)/b17-14+.
What are the key properties of tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate?
tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate has a molecular weight of 462.59 g/mol, XLogP of 6.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]carbamate is sourced from PubChem (CID 148558055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).