4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide

C12H17F3N4O2 — CID 120810569

IUPAC4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-8-10(21-7-18-8)11(20)17-6-9(12(13,14)15)19-4-2-16-3-5-19/h7,9,16H,2-6H2,1H3,(H,17,20)
InChIKeyJMAZHCYRXYKJNL-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.55
Rot. Bonds4

About 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide

4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide (PubChem CID 120810569) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
PubChem CID120810569
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-8-10(21-7-18-8)11(20)17-6-9(12(13,14)15)19-4-2-16-3-5-19/h7,9,16H,2-6H2,1H3,(H,17,20)
InChIKeyJMAZHCYRXYKJNL-UHFFFAOYSA-N
XLogP0.55
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,7-Diazabicyclo[3.3.1]nonan-3-yl-(4-methyl-1,3-oxazol-5-yl)methanone
CID 59268963
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 71667510
5-Oxazolecarboxamide, N-acetyl-4-methyl-
CID 539390
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373
5-({1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201698
2-methoxy-N-[7-(4-methyl-1,3-oxazole-5-carbonyl)-7-azaspiro[3.5]nonan-3-yl]acetamide
CID 124045326
4-Methyl-5-t-butylcarboxamidooxazole
CID 20325314
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
CID 77092028
[4-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124051015
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 164636294
[(2R)-3-carboxy-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 68743438
trimethyl-[(2R)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-4-oxo-4-(2,2,2-trifluoroacetyl)oxybutyl]azanium
CID 87558165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide (CID 120810569) is 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide?
The InChIKey is JMAZHCYRXYKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-8-10(21-7-18-8)11(20)17-6-9(12(13,14)15)19-4-2-16-3-5-19/h7,9,16H,2-6H2,1H3,(H,17,20).
What are the key properties of 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide?
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 120810569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).