2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C12H15F2N5O2 — CID 86791908

IUPAC2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Nc2cnn(CC(F)F)c2)on1
InChIInChI=1S/C12H15F2N5O2/c1-7-3-11(21-18-7)17-12(20)8(2)16-9-4-15-19(5-9)6-10(13)14/h3-5,8,10,16H,6H2,1-2H3,(H,17,20)
InChIKeyAXDPJJBKWTWZEI-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.88
Rot. Bonds6

About 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 86791908) has the molecular formula C12H15F2N5O2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID86791908
Molecular FormulaC12H15F2N5O2
Molecular Weight299.28 g/mol
Exact Mass299.12
IUPAC Name2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Nc2cnn(CC(F)F)c2)on1
InChIInChI=1S/C12H15F2N5O2/c1-7-3-11(21-18-7)17-12(20)8(2)16-9-4-15-19(5-9)6-10(13)14/h3-5,8,10,16H,6H2,1-2H3,(H,17,20)
InChIKeyAXDPJJBKWTWZEI-UHFFFAOYSA-N
XLogP1.88
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 86791908) is 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)Nc2cnn(CC(F)F)c2)on1.
What is the InChIKey of 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is AXDPJJBKWTWZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O2/c1-7-3-11(21-18-7)17-12(20)8(2)16-9-4-15-19(5-9)6-10(13)14/h3-5,8,10,16H,6H2,1-2H3,(H,17,20).
What are the key properties of 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 299.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 86791908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).