N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide

C32H27N3O7 — CID 66759174

IUPACN-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2Oc2ccc([N+](=O)[O-])cc2)on1
InChIInChI=1S/C32H27N3O7/c1-2-33-32(36)27-19-30(42-34-27)31-28(40-21-23-11-7-4-8-12-23)17-26(39-20-22-9-5-3-6-10-22)18-29(31)41-25-15-13-24(14-16-25)35(37)38/h3-19H,2,20-21H2,1H3,(H,33,36)
InChIKeyXMEUEKIHLROPHZ-UHFFFAOYSA-N
MW565.58 g/mol
LogP6.95
Rot. Bonds12

About N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 66759174) has the molecular formula C32H27N3O7 and a molecular weight of 565.58 g/mol. Its IUPAC name is N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID66759174
Molecular FormulaC32H27N3O7
Molecular Weight565.58 g/mol
Exact Mass565.18
IUPAC NameN-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2Oc2ccc([N+](=O)[O-])cc2)on1
InChIInChI=1S/C32H27N3O7/c1-2-33-32(36)27-19-30(42-34-27)31-28(40-21-23-11-7-4-8-12-23)17-26(39-20-22-9-5-3-6-10-22)18-29(31)41-25-15-13-24(14-16-25)35(37)38/h3-19H,2,20-21H2,1H3,(H,33,36)
InChIKeyXMEUEKIHLROPHZ-UHFFFAOYSA-N
XLogP6.95
TPSA125.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.58
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 66759309
5-[2-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 91228667
4-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoic acid
CID 141280953
ethyl 4-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoate
CID 66758581
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774116
N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
CID 70800264
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
3-(4-nitrophenyl)-5-(2-phenylmethoxyphenyl)-1,2-oxazole
CID 2817496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 66759174) is N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1cc(-c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2Oc2ccc([N+](=O)[O-])cc2)on1.
What is the InChIKey of N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XMEUEKIHLROPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O7/c1-2-33-32(36)27-19-30(42-34-27)31-28(40-21-23-11-7-4-8-12-23)17-26(39-20-22-9-5-3-6-10-22)18-29(31)41-25-15-13-24(14-16-25)35(37)38/h3-19H,2,20-21H2,1H3,(H,33,36).
What are the key properties of N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 565.58 g/mol, XLogP of 6.95, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66759174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).