4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide

C8H11F3N4O2 — CID 55135044

IUPAC4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1nonc1N
InChIInChI=1S/C8H11F3N4O2/c1-4(2)15(3-8(9,10)11)7(16)5-6(12)14-17-13-5/h4H,3H2,1-2H3,(H2,12,14)
InChIKeyPPLRMVMVQSUBMN-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.06
Rot. Bonds3

About 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55135044) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID55135044
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1nonc1N
InChIInChI=1S/C8H11F3N4O2/c1-4(2)15(3-8(9,10)11)7(16)5-6(12)14-17-13-5/h4H,3H2,1-2H3,(H2,12,14)
InChIKeyPPLRMVMVQSUBMN-UHFFFAOYSA-N
XLogP1.06
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62075087
4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide
CID 79488575
4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103665
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792993
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 61109258
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62817588
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 81092975
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide (CID 55135044) is 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PPLRMVMVQSUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-4(2)15(3-8(9,10)11)7(16)5-6(12)14-17-13-5/h4H,3H2,1-2H3,(H2,12,14).
What are the key properties of 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 252.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55135044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).