1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

C19H20N4O2S — CID 16670122

IUPAC1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cc(-c2cncnc2C2CCN(C(=O)Cc3cccs3)CC2)on1
InChIInChI=1S/C19H20N4O2S/c1-13-9-17(25-22-13)16-11-20-12-21-19(16)14-4-6-23(7-5-14)18(24)10-15-3-2-8-26-15/h2-3,8-9,11-12,14H,4-7,10H2,1H3
InChIKeyURKANAUORYGLNI-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.45
Rot. Bonds4

About 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 16670122) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID16670122
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cc(-c2cncnc2C2CCN(C(=O)Cc3cccs3)CC2)on1
InChIInChI=1S/C19H20N4O2S/c1-13-9-17(25-22-13)16-11-20-12-21-19(16)14-4-6-23(7-5-14)18(24)10-15-3-2-8-26-15/h2-3,8-9,11-12,14H,4-7,10H2,1H3
InChIKeyURKANAUORYGLNI-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 16670122) is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is Cc1cc(-c2cncnc2C2CCN(C(=O)Cc3cccs3)CC2)on1.
What is the InChIKey of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is URKANAUORYGLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-9-17(25-22-13)16-11-20-12-21-19(16)14-4-6-23(7-5-14)18(24)10-15-3-2-8-26-15/h2-3,8-9,11-12,14H,4-7,10H2,1H3.
What are the key properties of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 368.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 16670122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).