5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one

C19H18N4O2S — CID 10474080

IUPAC5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C1=NCCO1
InChIInChI=1S/C19H18N4O2S/c1-11(2)16-14(18-21-7-8-25-18)9-13(17(24)23-16)15-10-26-19(22-15)12-3-5-20-6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,23,24)
InChIKeyVSYRHIHEYSERBQ-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.46
Rot. Bonds4

About 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one

5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one (PubChem CID 10474080) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
PubChem CID10474080
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C1=NCCO1
InChIInChI=1S/C19H18N4O2S/c1-11(2)16-14(18-21-7-8-25-18)9-13(17(24)23-16)15-10-26-19(22-15)12-3-5-20-6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,23,24)
InChIKeyVSYRHIHEYSERBQ-UHFFFAOYSA-N
XLogP3.46
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one (CID 10474080) is 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one is CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C1=NCCO1.
What is the InChIKey of 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
The InChIKey is VSYRHIHEYSERBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-11(2)16-14(18-21-7-8-25-18)9-13(17(24)23-16)15-10-26-19(22-15)12-3-5-20-6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one?
5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one has a molecular weight of 366.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-oxazol-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 10474080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).