[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate

C19H20N4O4 — CID 3845786

IUPAC[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1cnn(Cc2c(C)noc2C)c1)c1ccccc1
InChIInChI=1S/C19H20N4O4/c1-12-17(13(2)27-22-12)11-23-10-16(9-20-23)21-19(25)18(26-14(3)24)15-7-5-4-6-8-15/h4-10,18H,11H2,1-3H3,(H,21,25)
InChIKeyYHWNKTBEAKNGST-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.78
Rot. Bonds6

About [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate

[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 3845786) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate
PubChem CID3845786
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1cnn(Cc2c(C)noc2C)c1)c1ccccc1
InChIInChI=1S/C19H20N4O4/c1-12-17(13(2)27-22-12)11-23-10-16(9-20-23)21-19(25)18(26-14(3)24)15-7-5-4-6-8-15/h4-10,18H,11H2,1-3H3,(H,21,25)
InChIKeyYHWNKTBEAKNGST-UHFFFAOYSA-N
XLogP2.78
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate (CID 3845786) is [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)Nc1cnn(Cc2c(C)noc2C)c1)c1ccccc1.
What is the InChIKey of [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is YHWNKTBEAKNGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12-17(13(2)27-22-12)11-23-10-16(9-20-23)21-19(25)18(26-14(3)24)15-7-5-4-6-8-15/h4-10,18H,11H2,1-3H3,(H,21,25).
What are the key properties of [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate?
[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 368.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 3845786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).