CID 155714396

C18H20ClF4N4O5Si — CID 155714396

IUPAC—
SMILESCN1C[Si](NC(=O)COc2ccc(Cl)c(F)c2)CC[C@@H]1c1nnc(OCCOC(F)(F)F)o1
InChIInChI=1S/C18H20ClF4N4O5Si/c1-27-10-33(26-15(28)9-30-11-2-3-12(19)13(20)8-11)7-4-14(27)16-24-25-17(32-16)29-5-6-31-18(21,22)23/h2-3,8,14H,4-7,9-10H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyGXOUNVJYVXSJND-CQSZACIVSA-N
MW511.91 g/mol
LogP2.88
Rot. Bonds9

About CID 155714396

CID 155714396 (PubChem CID 155714396) has the molecular formula C18H20ClF4N4O5Si and a molecular weight of 511.91 g/mol.

Molecular Properties

Compound NameCID 155714396
PubChem CID155714396
Molecular FormulaC18H20ClF4N4O5Si
Molecular Weight511.91 g/mol
Exact Mass511.08
IUPAC Name—
SMILESCN1C[Si](NC(=O)COc2ccc(Cl)c(F)c2)CC[C@@H]1c1nnc(OCCOC(F)(F)F)o1
InChIInChI=1S/C18H20ClF4N4O5Si/c1-27-10-33(26-15(28)9-30-11-2-3-12(19)13(20)8-11)7-4-14(27)16-24-25-17(32-16)29-5-6-31-18(21,22)23/h2-3,8,14H,4-7,9-10H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyGXOUNVJYVXSJND-CQSZACIVSA-N
XLogP2.88
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.91
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 155714325
CID 155714325
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(4,4,4-trifluorobutoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234829
2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234235
N-[(3S,6R)-6-[5-[2-(1,1-difluoroethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[3-fluoro-4-(trifluoromethyl)phenoxy]acetamide
CID 164975573
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(2-cyclobutyloxyethoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 162689786
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 165399670
2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 164785593
2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234076
CID 155714376
CID 155714376
tert-butyl (2S,5R)-5-[(7-chloroquinoline-3-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 169101505
CID 163263592
CID 163263592
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-[(2,2-difluorocyclopropyl)methoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234692

Frequently Asked Questions

What is the IUPAC name of CID 155714396?
The IUPAC name of CID 155714396 (CID 155714396) is not available.
What is the SMILES notation for CID 155714396?
The canonical SMILES for CID 155714396 is CN1C[Si](NC(=O)COc2ccc(Cl)c(F)c2)CC[C@@H]1c1nnc(OCCOC(F)(F)F)o1.
What is the InChIKey of CID 155714396?
The InChIKey is GXOUNVJYVXSJND-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClF4N4O5Si/c1-27-10-33(26-15(28)9-30-11-2-3-12(19)13(20)8-11)7-4-14(27)16-24-25-17(32-16)29-5-6-31-18(21,22)23/h2-3,8,14H,4-7,9-10H2,1H3,(H,26,28)/t14-/m1/s1.
What are the key properties of CID 155714396?
CID 155714396 has a molecular weight of 511.91 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155714396 is sourced from PubChem (CID 155714396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).