(E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide

C18H20N6O4 — CID 74225105

About (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide

(E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide (PubChem CID 74225105) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide
• PubChem CID: 74225105
• Molecular Formula: C18H20N6O4
• Molecular Weight: 384.40 g/mol
• Exact Mass: 384.15
• IUPAC Name: (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide
• SMILES: COc1ncc(/C=C/C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c(OC)n1
• InChI: InChI=1S/C18H20N6O4/c1-11-15(12(2)28-23-11)10-24-9-14(8-20-24)21-16(25)6-5-13-7-19-18(27-4)22-17(13)26-3/h5-9H,10H2,1-4H3,(H,21,25)/b6-5+
• InChIKey: BITNIKQECKMJPS-AATRIKPKSA-N
• XLogP: 2.00
• TPSA: 117.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.40
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide?

The IUPAC name of (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide (CID 74225105) is (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide.

What is the SMILES notation for (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide?

The canonical SMILES for (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide is COc1ncc(/C=C/C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c(OC)n1.

What is the InChIKey of (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide?

The InChIKey is BITNIKQECKMJPS-AATRIKPKSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-11-15(12(2)28-23-11)10-24-9-14(8-20-24)21-16(25)6-5-13-7-19-18(27-4)22-17(13)26-3/h5-9H,10H2,1-4H3,(H,21,25)/b6-5+.

What are the key properties of (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide?

(E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide has a molecular weight of 384.40 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(2,4-dimethoxypyrimidin-5-yl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 74225105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).