[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C19H20N4O4 — CID 7715359

IUPAC[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1nn(C)c(C)c1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C19H20N4O4/c1-11-17(12(2)23(4)21-11)20-15(24)10-26-19(25)16-13(3)27-22-18(16)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,20,24)
InChIKeyGXZPXDCVYIJFAM-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.80
Rot. Bonds5

About [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 7715359) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID7715359
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1nn(C)c(C)c1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C19H20N4O4/c1-11-17(12(2)23(4)21-11)20-15(24)10-26-19(25)16-13(3)27-22-18(16)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,20,24)
InChIKeyGXZPXDCVYIJFAM-UHFFFAOYSA-N
XLogP2.80
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581407
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235317
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4828943
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581681
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581443
[2-(benzhydrylamino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614483
[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847596
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581581
[2-oxo-2-(2-phenylpropylamino)ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505272
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4802550
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 7715359) is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1nn(C)c(C)c1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is GXZPXDCVYIJFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-17(12(2)23(4)21-11)20-15(24)10-26-19(25)16-13(3)27-22-18(16)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,20,24).
What are the key properties of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7715359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).