2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide

C21H19FN4O2S — CID 110245598

IUPAC2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide
SMILESCc1cc(-c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2-c2cccs2)on1
InChIInChI=1S/C21H19FN4O2S/c1-14-11-18(28-25-14)17-13-24-26(21(17)19-3-2-10-29-19)9-8-23-20(27)12-15-4-6-16(22)7-5-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,23,27)
InChIKeyOTLMZYYAPYSFQB-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.07
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide (PubChem CID 110245598) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide
PubChem CID110245598
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide
SMILESCc1cc(-c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2-c2cccs2)on1
InChIInChI=1S/C21H19FN4O2S/c1-14-11-18(28-25-14)17-13-24-26(21(17)19-3-2-10-29-19)9-8-23-20(27)12-15-4-6-16(22)7-5-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,23,27)
InChIKeyOTLMZYYAPYSFQB-UHFFFAOYSA-N
XLogP4.07
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide 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

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3239898
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 24982323
3-(2-chlorothiophen-3-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580094
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220560
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 147045813
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 147438760
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 24980582
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3236204
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3238351
N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3239053
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3245494
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-thiophen-2-ylpyrazol-1-yl)methanone
CID 2814862

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide (CID 110245598) is 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide is Cc1cc(-c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2-c2cccs2)on1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide?
The InChIKey is OTLMZYYAPYSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-14-11-18(28-25-14)17-13-24-26(21(17)19-3-2-10-29-19)9-8-23-20(27)12-15-4-6-16(22)7-5-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,23,27).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 110245598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).