N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide

C32H34F2N4O3S — CID 166977311

IUPACN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide
SMILESC=CC(O)(CCCCN(C(=O)C1CC(C(F)F)C1)c1cccc(-c2ccc3nc(C)sc3c2)c1)c1nc(C2CC2)no1
InChIInChI=1S/C32H34F2N4O3S/c1-3-32(40,31-36-29(37-41-31)20-9-10-20)13-4-5-14-38(30(39)24-15-23(16-24)28(33)34)25-8-6-7-21(17-25)22-11-12-26-27(18-22)42-19(2)35-26/h3,6-8,11-12,17-18,20,23-24,28,40H,1,4-5,9-10,13-16H2,2H3
InChIKeyVQZGFPSSKASWDH-UHFFFAOYSA-N
MW592.71 g/mol
LogP7.40
Rot. Bonds12

About N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 166977311) has the molecular formula C32H34F2N4O3S and a molecular weight of 592.71 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID166977311
Molecular FormulaC32H34F2N4O3S
Molecular Weight592.71 g/mol
Exact Mass592.23
IUPAC NameN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide
SMILESC=CC(O)(CCCCN(C(=O)C1CC(C(F)F)C1)c1cccc(-c2ccc3nc(C)sc3c2)c1)c1nc(C2CC2)no1
InChIInChI=1S/C32H34F2N4O3S/c1-3-32(40,31-36-29(37-41-31)20-9-10-20)13-4-5-14-38(30(39)24-15-23(16-24)28(33)34)25-8-6-7-21(17-25)22-11-12-26-27(18-22)42-19(2)35-26/h3,6-8,11-12,17-18,20,23-24,28,40H,1,4-5,9-10,13-16H2,2H3
InChIKeyVQZGFPSSKASWDH-UHFFFAOYSA-N
XLogP7.40
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.71
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]pent-4-enamide
CID 166977046
N-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxabicyclo[2.2.2]octan-4-yl]methyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-(difluoromethyl)cyclobutane-1-carboxamide
CID 155060498
3-fluoro-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]-N-[5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]pentyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 166977338
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]cyclobutane-1-carboxamide
CID 154683003
(E)-3-[3-[cyclohexanecarbonyl-[[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]amino]phenyl]prop-2-enoic acid
CID 118367665
N-[deuterio-[4-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methyl]-N-[3-[(E)-prop-1-enyl]phenyl]cyclohexanecarboxamide
CID 157268158
N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-2-methylidenebutanamide
CID 166976975
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 166977154
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide
CID 167077753
N-[3-(2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]pentyl]-4-fluoro-2-methylidenebutanamide
CID 166977342
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-2-methylidene-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]butanamide
CID 166977203
N-[3-(3-cyano-4-fluorophenyl)phenyl]-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoropent-4-enamide;ethene
CID 154682993

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide (CID 166977311) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide is C=CC(O)(CCCCN(C(=O)C1CC(C(F)F)C1)c1cccc(-c2ccc3nc(C)sc3c2)c1)c1nc(C2CC2)no1.
What is the InChIKey of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is VQZGFPSSKASWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N4O3S/c1-3-32(40,31-36-29(37-41-31)20-9-10-20)13-4-5-14-38(30(39)24-15-23(16-24)28(33)34)25-8-6-7-21(17-25)22-11-12-26-27(18-22)42-19(2)35-26/h3,6-8,11-12,17-18,20,23-24,28,40H,1,4-5,9-10,13-16H2,2H3.
What are the key properties of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide?
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 592.71 g/mol, XLogP of 7.40, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-hydroxyhept-6-enyl]-3-(difluoromethyl)-N-[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166977311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).