[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C19H20N4O2S — CID 110129214

IUPAC[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1noc(C)c1-c1cccc(CC2CCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C19H20N4O2S/c1-12-18(13(2)25-22-12)16-5-3-4-15(21-16)8-14-6-7-23(9-14)19(24)17-10-26-11-20-17/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyDOKKZBSGSBBBBC-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.51
Rot. Bonds4

About [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110129214) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110129214
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1noc(C)c1-c1cccc(CC2CCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C19H20N4O2S/c1-12-18(13(2)25-22-12)16-5-3-4-15(21-16)8-14-6-7-23(9-14)19(24)17-10-26-11-20-17/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyDOKKZBSGSBBBBC-UHFFFAOYSA-N
XLogP3.51
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 110129214) is [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1noc(C)c1-c1cccc(CC2CCN(C(=O)c3cscn3)C2)n1.
What is the InChIKey of [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is DOKKZBSGSBBBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-18(13(2)25-22-12)16-5-3-4-15(21-16)8-14-6-7-23(9-14)19(24)17-10-26-11-20-17/h3-5,10-11,14H,6-9H2,1-2H3.
What are the key properties of [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110129214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).