[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone

C29H40N2O4Si — CID 132508017

IUPAC[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C2C(C(=O)N3CCCCC3)=C(O[Si](C)(C)C(C)(C)C)CON2c2ccccc2)cc1
InChIInChI=1S/C29H40N2O4Si/c1-29(2,3)36(5,6)35-25-21-34-31(23-13-9-7-10-14-23)27(22-15-17-24(33-4)18-16-22)26(25)28(32)30-19-11-8-12-20-30/h7,9-10,13-18,27H,8,11-12,19-21H2,1-6H3
InChIKeyOWNNALWIPAWQOO-UHFFFAOYSA-N
MW508.74 g/mol
LogP6.48
Rot. Bonds6

About [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone

[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone (PubChem CID 132508017) has the molecular formula C29H40N2O4Si and a molecular weight of 508.74 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone
PubChem CID132508017
Molecular FormulaC29H40N2O4Si
Molecular Weight508.74 g/mol
Exact Mass508.28
IUPAC Name[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C2C(C(=O)N3CCCCC3)=C(O[Si](C)(C)C(C)(C)C)CON2c2ccccc2)cc1
InChIInChI=1S/C29H40N2O4Si/c1-29(2,3)36(5,6)35-25-21-34-31(23-13-9-7-10-14-23)27(22-15-17-24(33-4)18-16-22)26(25)28(32)30-19-11-8-12-20-30/h7,9-10,13-18,27H,8,11-12,19-21H2,1-6H3
InChIKeyOWNNALWIPAWQOO-UHFFFAOYSA-N
XLogP6.48
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.74
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone
CID 10732763
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
methyl 5-[tert-butyl(dimethyl)silyl]oxy-1,3-bis(4-methoxyphenyl)-2-phenyl-2,4-dihydropyrimidine-6-carboxylate
CID 102223693
[(7S)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 137090300
[7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4973092
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
[6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl]-piperidin-1-ylmethanone
CID 91894328
3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
CID 162534654
[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 55919334
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918131

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone (CID 132508017) is [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone is COc1ccc(C2C(C(=O)N3CCCCC3)=C(O[Si](C)(C)C(C)(C)C)CON2c2ccccc2)cc1.
What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OWNNALWIPAWQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O4Si/c1-29(2,3)36(5,6)35-25-21-34-31(23-13-9-7-10-14-23)27(22-15-17-24(33-4)18-16-22)26(25)28(32)30-19-11-8-12-20-30/h7,9-10,13-18,27H,8,11-12,19-21H2,1-6H3.
What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone?
[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 508.74 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 132508017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).