N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide

C40H36N2O5 — CID 141355277

IUPACN-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(-c3cc(CCc4ccccc4)c(OCc4ccccc4)cc3OCc3ccccc3)noc2NC(C)=O)cc1
InChIInChI=1S/C40H36N2O5/c1-28(43)41-40-38(32-20-22-34(44-2)23-21-32)39(42-47-40)35-24-33(19-18-29-12-6-3-7-13-29)36(45-26-30-14-8-4-9-15-30)25-37(35)46-27-31-16-10-5-11-17-31/h3-17,20-25H,18-19,26-27H2,1-2H3,(H,41,43)
InChIKeyJJPZYBXPPXZRRT-UHFFFAOYSA-N
MW624.74 g/mol
LogP8.92
Rot. Bonds13

About N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide

N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide (PubChem CID 141355277) has the molecular formula C40H36N2O5 and a molecular weight of 624.74 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
PubChem CID141355277
Molecular FormulaC40H36N2O5
Molecular Weight624.74 g/mol
Exact Mass624.26
IUPAC NameN-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
SMILESCOc1ccc(-c2c(-c3cc(CCc4ccccc4)c(OCc4ccccc4)cc3OCc3ccccc3)noc2NC(C)=O)cc1
InChIInChI=1S/C40H36N2O5/c1-28(43)41-40-38(32-20-22-34(44-2)23-21-32)39(42-47-40)35-24-33(19-18-29-12-6-3-7-13-29)36(45-26-30-14-8-4-9-15-30)25-37(35)46-27-31-16-10-5-11-17-31/h3-17,20-25H,18-19,26-27H2,1-2H3,(H,41,43)
InChIKeyJJPZYBXPPXZRRT-UHFFFAOYSA-N
XLogP8.92
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide with MolForge

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Related Compounds

N-[3-(4-methoxy-3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 46227183
3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 123307499
N-ethyl-4-(4-formylphenyl)-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773534
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
5-[5-bromo-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-3-methyl-1,2-oxazole;methyl 2,4-dihydroxy-5-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]benzoate;methyl 5-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]-2,4-bis(phenylmethoxy)benzoate
CID 161462431
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417789
N-(4-ethoxyphenyl)-3-[3-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354704
N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide
CID 10557530
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110323055
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide (CID 141355277) is N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide is COc1ccc(-c2c(-c3cc(CCc4ccccc4)c(OCc4ccccc4)cc3OCc3ccccc3)noc2NC(C)=O)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide?
The InChIKey is JJPZYBXPPXZRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O5/c1-28(43)41-40-38(32-20-22-34(44-2)23-21-32)39(42-47-40)35-24-33(19-18-29-12-6-3-7-13-29)36(45-26-30-14-8-4-9-15-30)25-37(35)46-27-31-16-10-5-11-17-31/h3-17,20-25H,18-19,26-27H2,1-2H3,(H,41,43).
What are the key properties of N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide?
N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide has a molecular weight of 624.74 g/mol, XLogP of 8.92, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 141355277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).