2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide

C14H14FN5O4 — CID 170065762

IUPAC2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide
SMILESCc1oncc1C(O)C(C#N)C(=O)Nc1nccc(OCCF)n1
InChIInChI=1S/C14H14FN5O4/c1-8-10(7-18-24-8)12(21)9(6-16)13(22)20-14-17-4-2-11(19-14)23-5-3-15/h2,4,7,9,12,21H,3,5H2,1H3,(H,17,19,20,22)
InChIKeyBXYRHPYPXFKYKH-UHFFFAOYSA-N
MW335.30 g/mol
LogP0.93
Rot. Bonds7

About 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide

2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide (PubChem CID 170065762) has the molecular formula C14H14FN5O4 and a molecular weight of 335.30 g/mol. Its IUPAC name is 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide
PubChem CID170065762
Molecular FormulaC14H14FN5O4
Molecular Weight335.30 g/mol
Exact Mass335.10
IUPAC Name2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide
SMILESCc1oncc1C(O)C(C#N)C(=O)Nc1nccc(OCCF)n1
InChIInChI=1S/C14H14FN5O4/c1-8-10(7-18-24-8)12(21)9(6-16)13(22)20-14-17-4-2-11(19-14)23-5-3-15/h2,4,7,9,12,21H,3,5H2,1H3,(H,17,19,20,22)
InChIKeyBXYRHPYPXFKYKH-UHFFFAOYSA-N
XLogP0.93
TPSA134.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide (CID 170065762) is 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide is Cc1oncc1C(O)C(C#N)C(=O)Nc1nccc(OCCF)n1.
What is the InChIKey of 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is BXYRHPYPXFKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O4/c1-8-10(7-18-24-8)12(21)9(6-16)13(22)20-14-17-4-2-11(19-14)23-5-3-15/h2,4,7,9,12,21H,3,5H2,1H3,(H,17,19,20,22).
What are the key properties of 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide?
2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 335.30 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(2-fluoroethoxy)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 170065762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).