N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide

C18H15ClFN3O2S — CID 3592095

IUPACN-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCc1oc(-c2cccc(F)c2)nc1CSCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C18H15ClFN3O2S/c1-11-15(23-18(25-11)12-4-2-5-13(20)8-12)9-26-10-16(24)22-14-6-3-7-21-17(14)19/h2-8H,9-10H2,1H3,(H,22,24)
InChIKeyUGJQNBLSWLPLKU-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.71
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide

N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide (PubChem CID 3592095) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
PubChem CID3592095
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCc1oc(-c2cccc(F)c2)nc1CSCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C18H15ClFN3O2S/c1-11-15(23-18(25-11)12-4-2-5-13(20)8-12)9-26-10-16(24)22-14-6-3-7-21-17(14)19/h2-8H,9-10H2,1H3,(H,22,24)
InChIKeyUGJQNBLSWLPLKU-UHFFFAOYSA-N
XLogP4.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide (CID 3592095) is N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide is Cc1oc(-c2cccc(F)c2)nc1CSCC(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is UGJQNBLSWLPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c1-11-15(23-18(25-11)12-4-2-5-13(20)8-12)9-26-10-16(24)22-14-6-3-7-21-17(14)19/h2-8H,9-10H2,1H3,(H,22,24).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 391.86 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 3592095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).