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

C12H14F3N5O2 — CID 75509179

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
SMILESCc1cc(NC(=O)C(C)Nc2ccn(CC(F)(F)F)n2)on1
InChIInChI=1S/C12H14F3N5O2/c1-7-5-10(22-19-7)17-11(21)8(2)16-9-3-4-20(18-9)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H,16,18)(H,17,21)
InChIKeyZWXJCDVQWPXUCM-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.18
Rot. Bonds5

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

N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide (PubChem CID 75509179) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
PubChem CID75509179
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
SMILESCc1cc(NC(=O)C(C)Nc2ccn(CC(F)(F)F)n2)on1
InChIInChI=1S/C12H14F3N5O2/c1-7-5-10(22-19-7)17-11(21)8(2)16-9-3-4-20(18-9)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H,16,18)(H,17,21)
InChIKeyZWXJCDVQWPXUCM-UHFFFAOYSA-N
XLogP2.18
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide (CID 75509179) is N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide is Cc1cc(NC(=O)C(C)Nc2ccn(CC(F)(F)F)n2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The InChIKey is ZWXJCDVQWPXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-7-5-10(22-19-7)17-11(21)8(2)16-9-3-4-20(18-9)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H,16,18)(H,17,21).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide has a molecular weight of 317.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide is sourced from PubChem (CID 75509179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).