(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

C17H18N6O2S — CID 95835314

About (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 95835314) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
• PubChem CID: 95835314
• Molecular Formula: C17H18N6O2S
• Molecular Weight: 370.44 g/mol
• Exact Mass: 370.12
• IUPAC Name: (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cccc(Nc3nncs3)n2)o1
• InChI: InChI=1S/C17H18N6O2S/c1-10-15(25-11(2)19-10)16(24)23-8-4-6-13(23)12-5-3-7-14(20-12)21-17-22-18-9-26-17/h3,5,7,9,13H,4,6,8H2,1-2H3,(H,20,21,22)/t13-/m1/s1
• InChIKey: FDMVJMCFYIUETB-CYBMUJFWSA-N
• XLogP: 3.26
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.44
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 95835314) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cccc(Nc3nncs3)n2)o1.

What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The InChIKey is FDMVJMCFYIUETB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-10-15(25-11(2)19-10)16(24)23-8-4-6-13(23)12-5-3-7-14(20-12)21-17-22-18-9-26-17/h3,5,7,9,13H,4,6,8H2,1-2H3,(H,20,21,22)/t13-/m1/s1.

What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 370.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[6-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95835314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).