N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide

C13H15N3O2S — CID 45234802

IUPACN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)N(C)Cc1ccon1
InChIInChI=1S/C13H15N3O2S/c1-10(19-12-5-3-4-7-14-12)13(17)16(2)9-11-6-8-18-15-11/h3-8,10H,9H2,1-2H3
InChIKeyGEASFUROLVDFJX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide

N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 45234802) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID45234802
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)N(C)Cc1ccon1
InChIInChI=1S/C13H15N3O2S/c1-10(19-12-5-3-4-7-14-12)13(17)16(2)9-11-6-8-18-15-11/h3-8,10H,9H2,1-2H3
InChIKeyGEASFUROLVDFJX-UHFFFAOYSA-N
XLogP2.21
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide (CID 45234802) is N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)N(C)Cc1ccon1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is GEASFUROLVDFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10(19-12-5-3-4-7-14-12)13(17)16(2)9-11-6-8-18-15-11/h3-8,10H,9H2,1-2H3.
What are the key properties of N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide?
N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 45234802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).