N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide

C34H38FN3O2S — CID 171473923

IUPACN-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
SMILESO=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)cs3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1
InChIInChI=1S/C34H38FN3O2S/c35-34-18-32(19-34,20-34)15-28(39)38(25-3-1-2-24(14-25)27-16-36-29(40-27)23-6-7-23)21-31-8-11-33(12-9-31,13-10-31)30-37-26(17-41-30)22-4-5-22/h1-3,14,16-17,22-23H,4-13,15,18-21H2
InChIKeyKGKRDGBOVMCMPO-UHFFFAOYSA-N
MW571.76 g/mol
LogP8.46
Rot. Bonds9

About N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide

N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide (PubChem CID 171473923) has the molecular formula C34H38FN3O2S and a molecular weight of 571.76 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
PubChem CID171473923
Molecular FormulaC34H38FN3O2S
Molecular Weight571.76 g/mol
Exact Mass571.27
IUPAC NameN-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
SMILESO=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)cs3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1
InChIInChI=1S/C34H38FN3O2S/c35-34-18-32(19-34,20-34)15-28(39)38(25-3-1-2-24(14-25)27-16-36-29(40-27)23-6-7-23)21-31-8-11-33(12-9-31,13-10-31)30-37-26(17-41-30)22-4-5-22/h1-3,14,16-17,22-23H,4-13,15,18-21H2
InChIKeyKGKRDGBOVMCMPO-UHFFFAOYSA-N
XLogP8.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.76
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171474424
N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474166
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 171474146
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171473962
N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171474416
N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474136
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474151
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
CID 171473998
N-[3-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474130
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474075
N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methanesulfonamido)phenyl]phenyl]acetamide
CID 171474154
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methanesulfonamido)phenyl]phenyl]acetamide
CID 171474336

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The IUPAC name of N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide (CID 171473923) is N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide.
What is the SMILES notation for N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The canonical SMILES for N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide is O=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)cs3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1.
What is the InChIKey of N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The InChIKey is KGKRDGBOVMCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN3O2S/c35-34-18-32(19-34,20-34)15-28(39)38(25-3-1-2-24(14-25)27-16-36-29(40-27)23-6-7-23)21-31-8-11-33(12-9-31,13-10-31)30-37-26(17-41-30)22-4-5-22/h1-3,14,16-17,22-23H,4-13,15,18-21H2.
What are the key properties of N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide has a molecular weight of 571.76 g/mol, XLogP of 8.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide is sourced from PubChem (CID 171473923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).