N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C29H35N5O3Si — CID 164879735

IUPACN-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ncn([C@H]3CC[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)n2)on1
InChIInChI=1S/C29H35N5O3Si/c1-21-17-24(36-33-21)19-27(35)31-28-30-20-34(32-28)22-15-16-23(18-22)37-38(29(2,3)4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,17,20,22-23H,15-16,18-19H2,1-4H3,(H,31,32,35)/t22-,23+/m0/s1
InChIKeyQXDUTPKFZLXIJE-XZOQPEGZSA-N
MW529.72 g/mol
LogP4.43
Rot. Bonds8

About N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 164879735) has the molecular formula C29H35N5O3Si and a molecular weight of 529.72 g/mol. Its IUPAC name is N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID164879735
Molecular FormulaC29H35N5O3Si
Molecular Weight529.72 g/mol
Exact Mass529.25
IUPAC NameN-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ncn([C@H]3CC[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)n2)on1
InChIInChI=1S/C29H35N5O3Si/c1-21-17-24(36-33-21)19-27(35)31-28-30-20-34(32-28)22-15-16-23(18-22)37-38(29(2,3)4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,17,20,22-23H,15-16,18-19H2,1-4H3,(H,31,32,35)/t22-,23+/m0/s1
InChIKeyQXDUTPKFZLXIJE-XZOQPEGZSA-N
XLogP4.43
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.72
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-tert-butyl-3-[4-[tert-butyl(diphenyl)silyl]oxycycloheptyl]pyrazol-5-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 164880035
ethyl 1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]imidazole-4-carboxylate
CID 71223442
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 166341323
[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate
CID 164879612
N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 67575573
dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 24787516
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-(2-propan-2-ylphenoxy)cyclopentyl]-1H-pyrazol-3-yl]acetamide
CID 171719126
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate
CID 101209477
N-[1-tert-butyl-5-[(1S,3R)-3-(4,4-dimethyl-2-oxoimidazolidin-1-yl)cyclopentyl]pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 164879724
N-[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]benzamide
CID 164879657
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 164879735) is N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)Nc2ncn([C@H]3CC[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)n2)on1.
What is the InChIKey of N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is QXDUTPKFZLXIJE-XZOQPEGZSA-N. The full InChI is InChI=1S/C29H35N5O3Si/c1-21-17-24(36-33-21)19-27(35)31-28-30-20-34(32-28)22-15-16-23(18-22)37-38(29(2,3)4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,17,20,22-23H,15-16,18-19H2,1-4H3,(H,31,32,35)/t22-,23+/m0/s1.
What are the key properties of N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 529.72 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-1,2,4-triazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 164879735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).