N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide

C33H34N4O4 — CID 140602316

IUPACN-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCc1c(NC(=O)c2ccon2)nn(C)c1-c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C33H34N4O4/c1-5-25-31(37(4)35-32(25)34-33(38)28-16-17-41-36-28)27-18-26(22(2)3)29(39-20-23-12-8-6-9-13-23)19-30(27)40-21-24-14-10-7-11-15-24/h6-19,22H,5,20-21H2,1-4H3,(H,34,35,38)
InChIKeyYQCPDDJZZZONDR-UHFFFAOYSA-N
MW550.66 g/mol
LogP7.17
Rot. Bonds11

About N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide

N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 140602316) has the molecular formula C33H34N4O4 and a molecular weight of 550.66 g/mol. Its IUPAC name is N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID140602316
Molecular FormulaC33H34N4O4
Molecular Weight550.66 g/mol
Exact Mass550.26
IUPAC NameN-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCc1c(NC(=O)c2ccon2)nn(C)c1-c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C33H34N4O4/c1-5-25-31(37(4)35-32(25)34-33(38)28-16-17-41-36-28)27-18-26(22(2)3)29(39-20-23-12-8-6-9-13-23)19-30(27)40-21-24-14-10-7-11-15-24/h6-19,22H,5,20-21H2,1-4H3,(H,34,35,38)
InChIKeyYQCPDDJZZZONDR-UHFFFAOYSA-N
XLogP7.17
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 140602317
3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
CID 145125230
4-amino-5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylic acid
CID 123210670
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(2-ethyltetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67374989
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(oxiran-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
CID 87376641
N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 134166507
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2-oxazole-3-carboxamide
CID 135265032
N-(2,6-diethylphenyl)-1,2-oxazole-3-carboxamide
CID 110858252
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67375076
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 135336963
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316459

Frequently Asked Questions

What is the IUPAC name of N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 140602316) is N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide is CCc1c(NC(=O)c2ccon2)nn(C)c1-c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is YQCPDDJZZZONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O4/c1-5-25-31(37(4)35-32(25)34-33(38)28-16-17-41-36-28)27-18-26(22(2)3)29(39-20-23-12-8-6-9-13-23)19-30(27)40-21-24-14-10-7-11-15-24/h6-19,22H,5,20-21H2,1-4H3,(H,34,35,38).
What are the key properties of N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide?
N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 550.66 g/mol, XLogP of 7.17, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 140602316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).