1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C16H21N5O4 — CID 56798289

About 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 56798289) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• PubChem CID: 56798289
• Molecular Formula: C16H21N5O4
• Molecular Weight: 347.38 g/mol
• Exact Mass: 347.16
• IUPAC Name: 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• SMILES: Cc1noc(C)c1CN1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1
• InChI: InChI=1S/C16H21N5O4/c1-11-13(12(2)25-18-11)9-19-5-7-20(8-6-19)15(23)10-21-4-3-14(22)17-16(21)24/h3-4H,5-10H2,1-2H3,(H,17,22,24)
• InChIKey: PKTLVXCEPGPMJH-UHFFFAOYSA-N
• XLogP: -0.51
• TPSA: 104.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.38
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 56798289) is 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is Cc1noc(C)c1CN1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1.

What is the InChIKey of 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The InChIKey is PKTLVXCEPGPMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-11-13(12(2)25-18-11)9-19-5-7-20(8-6-19)15(23)10-21-4-3-14(22)17-16(21)24/h3-4H,5-10H2,1-2H3,(H,17,22,24).

What are the key properties of 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56798289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).