2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide

C14H17N3O2S — CID 75681955

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide
SMILESCc1nc(SCC(=O)NC(C)c2cccnc2)oc1C
InChIInChI=1S/C14H17N3O2S/c1-9-11(3)19-14(17-9)20-8-13(18)16-10(2)12-5-4-6-15-7-12/h4-7,10H,8H2,1-3H3,(H,16,18)
InChIKeyHDAKCQUDMVLCRW-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.66
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 75681955) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID75681955
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide
SMILESCc1nc(SCC(=O)NC(C)c2cccnc2)oc1C
InChIInChI=1S/C14H17N3O2S/c1-9-11(3)19-14(17-9)20-8-13(18)16-10(2)12-5-4-6-15-7-12/h4-7,10H,8H2,1-3H3,(H,16,18)
InChIKeyHDAKCQUDMVLCRW-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide (CID 75681955) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide is Cc1nc(SCC(=O)NC(C)c2cccnc2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is HDAKCQUDMVLCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-11(3)19-14(17-9)20-8-13(18)16-10(2)12-5-4-6-15-7-12/h4-7,10H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 75681955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).