ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate

C22H23N5O3S — CID 25327664

IUPACethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(C)[C@@H](C)c1ccon1
InChIInChI=1S/C22H23N5O3S/c1-4-29-21(28)17-12-23-27(20(17)13-26(3)15(2)18-10-11-30-25-18)22-24-19(14-31-22)16-8-6-5-7-9-16/h5-12,14-15H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyPHJOPBKYOMKMKD-HNNXBMFYSA-N
MW437.53 g/mol
LogP4.35
Rot. Bonds8

About ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate

ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate (PubChem CID 25327664) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate
PubChem CID25327664
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Nameethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(C)[C@@H](C)c1ccon1
InChIInChI=1S/C22H23N5O3S/c1-4-29-21(28)17-12-23-27(20(17)13-26(3)15(2)18-10-11-30-25-18)22-24-19(14-31-22)16-8-6-5-7-9-16/h5-12,14-15H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyPHJOPBKYOMKMKD-HNNXBMFYSA-N
XLogP4.35
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 3837157
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CID 45182864
ethyl 5-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylate
CID 4140110
ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-[(3-methoxypropylamino)methyl]pyrazole-4-carboxylate
CID 42539055
ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate
CID 58127493
ethyl 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 1482617
ethyl 2-amino-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-phenylpyrrole-3-carboxylate
CID 23795023
1-[4-[5-ethyl-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-2-methylpropan-1-one
CID 22474583
ethyl 1-(1H-benzimidazol-2-yl)-5-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 56853584
ethyl 1-(1,3-benzothiazol-2-yl)-5-[[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]pyrazole-4-carboxylate
CID 26353052
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate (CID 25327664) is ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN(C)[C@@H](C)c1ccon1.
What is the InChIKey of ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate?
The InChIKey is PHJOPBKYOMKMKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-4-29-21(28)17-12-23-27(20(17)13-26(3)15(2)18-10-11-30-25-18)22-24-19(14-31-22)16-8-6-5-7-9-16/h5-12,14-15H,4,13H2,1-3H3/t15-/m0/s1.
What are the key properties of ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate?
ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate has a molecular weight of 437.53 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 25327664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).