N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide

C18H15ClN2O4S — CID 163379050

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide
SMILESC[S@](=O)c1ccc(C(=O)NC23CC(c4nc5cc(Cl)ccc5o4)(C2)C3)o1
InChIInChI=1S/C18H15ClN2O4S/c1-26(23)14-5-4-13(24-14)15(22)21-18-7-17(8-18,9-18)16-20-11-6-10(19)2-3-12(11)25-16/h2-6H,7-9H2,1H3,(H,21,22)/t17?,18?,26-/m0/s1
InChIKeyPFISAFMXTBWPNT-WLYVOJLOSA-N
MW390.85 g/mol
LogP3.42
Rot. Bonds4

About N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide (PubChem CID 163379050) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide
PubChem CID163379050
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide
SMILESC[S@](=O)c1ccc(C(=O)NC23CC(c4nc5cc(Cl)ccc5o4)(C2)C3)o1
InChIInChI=1S/C18H15ClN2O4S/c1-26(23)14-5-4-13(24-14)15(22)21-18-7-17(8-18,9-18)16-20-11-6-10(19)2-3-12(11)25-16/h2-6H,7-9H2,1H3,(H,21,22)/t17?,18?,26-/m0/s1
InChIKeyPFISAFMXTBWPNT-WLYVOJLOSA-N
XLogP3.42
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylsulfonimidoyl)furan-2-carboxamide
CID 163379074
N-[3-(6-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-methylsulfonylfuran-2-carboxamide
CID 163379021
N-[3-(6-chloro-1,3-benzothiazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(cyclopropylmethylsulfinyl)furan-2-carboxamide
CID 164907591
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(2-methylpropylsulfinyl)furan-2-carboxamide
CID 163379229
N-[3-(5-chloro-1,3-benzothiazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-(2-methoxyethylsulfonyl)furan-2-carboxamide
CID 164907448
5-[bromo(methylsulfonyl)methyl]-N-[3-(6-chloro-1,3-benzothiazol-2-yl)-1-bicyclo[1.1.1]pentanyl]furan-2-carboxamide
CID 164907446
5-chloro-2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 55177954
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 163367580
N-[3-(6-chloro-1,3-benzothiazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxamide
CID 164907663
1-(4-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 37040333
[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine
CID 115451004

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide (CID 163379050) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide is C[S@](=O)c1ccc(C(=O)NC23CC(c4nc5cc(Cl)ccc5o4)(C2)C3)o1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide?
The InChIKey is PFISAFMXTBWPNT-WLYVOJLOSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c1-26(23)14-5-4-13(24-14)15(22)21-18-7-17(8-18,9-18)16-20-11-6-10(19)2-3-12(11)25-16/h2-6H,7-9H2,1H3,(H,21,22)/t17?,18?,26-/m0/s1.
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]-5-[(S)-methylsulfinyl]furan-2-carboxamide is sourced from PubChem (CID 163379050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).