(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate

C16H22N4O5 — CID 66643741

IUPAC(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
SMILESCCCCc1noc(C)c1COc1cc(C(=O)OCC(N)=O)n(C)n1
InChIInChI=1S/C16H22N4O5/c1-4-5-6-12-11(10(2)25-19-12)8-23-15-7-13(20(3)18-15)16(22)24-9-14(17)21/h7H,4-6,8-9H2,1-3H3,(H2,17,21)
InChIKeyNMSLMPYBNDMOPY-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.28
Rot. Bonds9

About (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate

(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate (PubChem CID 66643741) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
PubChem CID66643741
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate
SMILESCCCCc1noc(C)c1COc1cc(C(=O)OCC(N)=O)n(C)n1
InChIInChI=1S/C16H22N4O5/c1-4-5-6-12-11(10(2)25-19-12)8-23-15-7-13(20(3)18-15)16(22)24-9-14(17)21/h7H,4-6,8-9H2,1-3H3,(H2,17,21)
InChIKeyNMSLMPYBNDMOPY-UHFFFAOYSA-N
XLogP1.28
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
CID 66643769
[(2R)-1-amino-1-oxopropan-2-yl] 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 66643927
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492257
1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
CID 66643856
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1H-pyrazole-5-carboxylic acid;oxolane
CID 158136847
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 66643929
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 59568483
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 59568392
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513
N-(3-hydroxy-2-methylpropyl)-1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxamide
CID 163476575
3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1-methyl-N-(3-methyloxetan-3-yl)pyrazole-5-carboxamide
CID 59568484

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate (CID 66643741) is (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate is CCCCc1noc(C)c1COc1cc(C(=O)OCC(N)=O)n(C)n1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate?
The InChIKey is NMSLMPYBNDMOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-4-5-6-12-11(10(2)25-19-12)8-23-15-7-13(20(3)18-15)16(22)24-9-14(17)21/h7H,4-6,8-9H2,1-3H3,(H2,17,21).
What are the key properties of (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate?
(2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66643741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).