[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate

C33H38N2O5 — CID 142703616

IUPAC[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OCc1cccc(-c2cc(-c3ccc(-c4ccccc4)c(C)c3COC)on2)c1)C(C)(C)C
InChIInChI=1S/C33H38N2O5/c1-23-27(25-12-8-7-9-13-25)15-16-28(29(23)22-38-6)31-20-30(34-40-31)26-14-10-11-24(19-26)21-39-32(36)35(17-18-37-5)33(2,3)4/h7-16,19-20H,17-18,21-22H2,1-6H3
InChIKeyFCLIYCPZPWNXKU-UHFFFAOYSA-N
MW542.68 g/mol
LogP7.51
Rot. Bonds10

About [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate

[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate (PubChem CID 142703616) has the molecular formula C33H38N2O5 and a molecular weight of 542.68 g/mol. Its IUPAC name is [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate
PubChem CID142703616
Molecular FormulaC33H38N2O5
Molecular Weight542.68 g/mol
Exact Mass542.28
IUPAC Name[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate
SMILESCOCCN(C(=O)OCc1cccc(-c2cc(-c3ccc(-c4ccccc4)c(C)c3COC)on2)c1)C(C)(C)C
InChIInChI=1S/C33H38N2O5/c1-23-27(25-12-8-7-9-13-25)15-16-28(29(23)22-38-6)31-20-30(34-40-31)26-14-10-11-24(19-26)21-39-32(36)35(17-18-37-5)33(2,3)4/h7-16,19-20H,17-18,21-22H2,1-6H3
InChIKeyFCLIYCPZPWNXKU-UHFFFAOYSA-N
XLogP7.51
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methoxy]ethanol
CID 142703553
2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol
CID 142703485
2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide
CID 142703568
4-[2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenoxy]butanoic acid
CID 142703542
methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
CID 142703451
4-[5-[2,6-difluoro-3-(methoxymethyl)-4-phenylphenyl]-1,2-oxazol-3-yl]-2-fluorobenzoic acid
CID 142703530
benzyl N-tert-butyl-N-(4-iodobutyl)carbamate
CID 91363624
ethyl 1-[[3-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2-oxazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylate
CID 163812118
(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-hydroxyphenoxy)ethyl]carbamate
CID 174734765
2-[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxy-3-methyl-4-phenylbenzoic acid
CID 90876909
N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide
CID 142703431
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637

Frequently Asked Questions

What is the IUPAC name of [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate?
The IUPAC name of [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate (CID 142703616) is [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate?
The canonical SMILES for [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate is COCCN(C(=O)OCc1cccc(-c2cc(-c3ccc(-c4ccccc4)c(C)c3COC)on2)c1)C(C)(C)C.
What is the InChIKey of [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate?
The InChIKey is FCLIYCPZPWNXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O5/c1-23-27(25-12-8-7-9-13-25)15-16-28(29(23)22-38-6)31-20-30(34-40-31)26-14-10-11-24(19-26)21-39-32(36)35(17-18-37-5)33(2,3)4/h7-16,19-20H,17-18,21-22H2,1-6H3.
What are the key properties of [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate?
[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate has a molecular weight of 542.68 g/mol, XLogP of 7.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]methyl N-tert-butyl-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 142703616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).