N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide

C18H24N4O2S — CID 78844460

IUPACN-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
SMILESCC(C)C(Sc1nnc(-c2ccncc2)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H24N4O2S/c1-12(2)15(16(23)20-14-6-4-3-5-7-14)25-18-22-21-17(24-18)13-8-10-19-11-9-13/h8-12,14-15H,3-7H2,1-2H3,(H,20,23)
InChIKeyZGHXPWRDMMMGMX-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.70
Rot. Bonds6

About N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide

N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide (PubChem CID 78844460) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
PubChem CID78844460
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
SMILESCC(C)C(Sc1nnc(-c2ccncc2)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H24N4O2S/c1-12(2)15(16(23)20-14-6-4-3-5-7-14)25-18-22-21-17(24-18)13-8-10-19-11-9-13/h8-12,14-15H,3-7H2,1-2H3,(H,20,23)
InChIKeyZGHXPWRDMMMGMX-UHFFFAOYSA-N
XLogP3.70
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide with MolForge

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Related Compounds

(2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylpropanamide
CID 7562787
(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7816551
(2R)-N-cycloheptyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889642
(2R)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 1170468
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 17430485
(2R)-N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 40579060
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 9382630
(2R)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170645
(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170644
N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
CID 78846605
N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
CID 78846580

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The IUPAC name of N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide (CID 78844460) is N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide is CC(C)C(Sc1nnc(-c2ccncc2)o1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The InChIKey is ZGHXPWRDMMMGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12(2)15(16(23)20-14-6-4-3-5-7-14)25-18-22-21-17(24-18)13-8-10-19-11-9-13/h8-12,14-15H,3-7H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide has a molecular weight of 360.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 78844460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).