furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone

C18H18N6O4 — CID 109353097

About furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 109353097) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone
• PubChem CID: 109353097
• Molecular Formula: C18H18N6O4
• Molecular Weight: 382.38 g/mol
• Exact Mass: 382.14
• IUPAC Name: furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone
• SMILES: Cc1cc(Nc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ncn2)no1
• InChI: InChI=1S/C18H18N6O4/c1-12-9-16(22-28-12)21-15-10-13(19-11-20-15)17(25)23-4-6-24(7-5-23)18(26)14-3-2-8-27-14/h2-3,8-11H,4-7H2,1H3,(H,19,20,21,22)
• InChIKey: BPKJZVRWGHHIOM-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 117.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.38
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone?

The IUPAC name of furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone (CID 109353097) is furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone is Cc1cc(Nc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ncn2)no1.

What is the InChIKey of furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone?

The InChIKey is BPKJZVRWGHHIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c1-12-9-16(22-28-12)21-15-10-13(19-11-20-15)17(25)23-4-6-24(7-5-23)18(26)14-3-2-8-27-14/h2-3,8-11H,4-7H2,1H3,(H,19,20,21,22).

What are the key properties of furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone?

furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 382.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109353097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).