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

C32H34N6O4 — CID 140602317

IUPACN-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)(c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1)n1nnc(NC(=O)c2ccon2)n1
InChIInChI=1S/C32H34N6O4/c1-5-32(4,38-35-31(34-37-38)33-30(39)27-16-17-42-36-27)26-18-25(22(2)3)28(40-20-23-12-8-6-9-13-23)19-29(26)41-21-24-14-10-7-11-15-24/h6-19,22H,5,20-21H2,1-4H3,(H,33,35,39)
InChIKeyJREGJHBQJOMHEH-UHFFFAOYSA-N
MW566.66 g/mol
LogP6.37
Rot. Bonds12

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

N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 140602317) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide
PubChem CID140602317
Molecular FormulaC32H34N6O4
Molecular Weight566.66 g/mol
Exact Mass566.26
IUPAC NameN-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)(c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1)n1nnc(NC(=O)c2ccon2)n1
InChIInChI=1S/C32H34N6O4/c1-5-32(4,38-35-31(34-37-38)33-30(39)27-16-17-42-36-27)26-18-25(22(2)3)28(40-20-23-12-8-6-9-13-23)19-29(26)41-21-24-14-10-7-11-15-24/h6-19,22H,5,20-21H2,1-4H3,(H,33,35,39)
InChIKeyJREGJHBQJOMHEH-UHFFFAOYSA-N
XLogP6.37
TPSA117.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 140602316
3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
CID 145125230
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(2-ethyltetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67374989
N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316459
4-oxo-N-[5-phenylmethoxy-4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
CID 53246296
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-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
4-amino-5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylic acid
CID 123210670
N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316537
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 135336963
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 96560012
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19448655

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide (CID 140602317) is N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide is CCC(C)(c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1)n1nnc(NC(=O)c2ccon2)n1.
What is the InChIKey of N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JREGJHBQJOMHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c1-5-32(4,38-35-31(34-37-38)33-30(39)27-16-17-42-36-27)26-18-25(22(2)3)28(40-20-23-12-8-6-9-13-23)19-29(26)41-21-24-14-10-7-11-15-24/h6-19,22H,5,20-21H2,1-4H3,(H,33,35,39).
What are the key properties of N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide?
N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 566.66 g/mol, XLogP of 6.37, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]butan-2-yl]tetrazol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 140602317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).