N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide

C14H17N3O2S — CID 2815765

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)Nc1c(C)noc1C
InChIInChI=1S/C14H17N3O2S/c1-4-8-20-14-11(6-5-7-15-14)13(18)16-12-9(2)17-19-10(12)3/h5-7H,4,8H2,1-3H3,(H,16,18)
InChIKeyZOKXGWUKUZECNQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.44
Rot. Bonds5

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide (PubChem CID 2815765) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide
PubChem CID2815765
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ncccc1C(=O)Nc1c(C)noc1C
InChIInChI=1S/C14H17N3O2S/c1-4-8-20-14-11(6-5-7-15-14)13(18)16-12-9(2)17-19-10(12)3/h5-7H,4,8H2,1-3H3,(H,16,18)
InChIKeyZOKXGWUKUZECNQ-UHFFFAOYSA-N
XLogP3.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide (CID 2815765) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide is CCCSc1ncccc1C(=O)Nc1c(C)noc1C.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide?
The InChIKey is ZOKXGWUKUZECNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-8-20-14-11(6-5-7-15-14)13(18)16-12-9(2)17-19-10(12)3/h5-7H,4,8H2,1-3H3,(H,16,18).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2815765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).