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

C12H14F3N5O2 — CID 99615013

IUPAC(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Nc2cnn(CC(F)(F)F)c2)on1
InChIInChI=1S/C12H14F3N5O2/c1-7-3-10(22-19-7)18-11(21)8(2)17-9-4-16-20(5-9)6-12(13,14)15/h3-5,8,17H,6H2,1-2H3,(H,18,21)/t8-/m1/s1
InChIKeyVYCMRLJLYBOIPO-MRVPVSSYSA-N
MW317.27 g/mol
LogP2.18
Rot. Bonds5

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

(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide (PubChem CID 99615013) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide
PubChem CID99615013
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC Name(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Nc2cnn(CC(F)(F)F)c2)on1
InChIInChI=1S/C12H14F3N5O2/c1-7-3-10(22-19-7)18-11(21)8(2)17-9-4-16-20(5-9)6-12(13,14)15/h3-5,8,17H,6H2,1-2H3,(H,18,21)/t8-/m1/s1
InChIKeyVYCMRLJLYBOIPO-MRVPVSSYSA-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 (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide?
The IUPAC name of (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide (CID 99615013) is (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide.
What is the SMILES notation for (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide?
The canonical SMILES for (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide is Cc1cc(NC(=O)[C@@H](C)Nc2cnn(CC(F)(F)F)c2)on1.
What is the InChIKey of (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide?
The InChIKey is VYCMRLJLYBOIPO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-7-3-10(22-19-7)18-11(21)8(2)17-9-4-16-20(5-9)6-12(13,14)15/h3-5,8,17H,6H2,1-2H3,(H,18,21)/t8-/m1/s1.
What are the key properties of (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide?
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-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 (2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]propanamide is sourced from PubChem (CID 99615013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).