2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide

C63H63F9N6O9 — CID 159294791

IUPAC2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
SMILESCC1(C(=O)NNC(=O)c2ccccc2Cc2ccc(C(F)(F)F)cc2)CCCO1.CC1(C(=O)O)CCCO1.CC1(c2nnc(-c3ccccc3Cc3ccc(C(F)(F)F)cc3)o2)CCCO1.NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N2O3.C21H19F3N2O2.C15H13F3N2O.C6H10O3/c1-20(11-4-12-29-20)19(28)26-25-18(27)17-6-3-2-5-15(17)13-14-7-9-16(10-8-14)21(22,23)24;1-20(11-4-12-27-20)19-26-25-18(28-19)17-6-3-2-5-15(17)13-14-7-9-16(10-8-14)21(22,23)24;16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(21)20-19;1-6(5(7)8)3-2-4-9-6/h2-3,5-10H,4,11-13H2,1H3,(H,25,27)(H,26,28);2-3,5-10H,4,11-13H2,1H3;1-8H,9,19H2,(H,20,21);2-4H2,1H3,(H,7,8)
InChIKeyLAOOSLYNZBZOMF-UHFFFAOYSA-N
MW1219.21 g/mol
LogP12.54
Rot. Bonds12

About 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide

2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide (PubChem CID 159294791) has the molecular formula C63H63F9N6O9 and a molecular weight of 1219.21 g/mol. Its IUPAC name is 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide.

Molecular Properties

Compound Name2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
PubChem CID159294791
Molecular FormulaC63H63F9N6O9
Molecular Weight1219.21 g/mol
Exact Mass1218.45
IUPAC Name2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide
SMILESCC1(C(=O)NNC(=O)c2ccccc2Cc2ccc(C(F)(F)F)cc2)CCCO1.CC1(C(=O)O)CCCO1.CC1(c2nnc(-c3ccccc3Cc3ccc(C(F)(F)F)cc3)o2)CCCO1.NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N2O3.C21H19F3N2O2.C15H13F3N2O.C6H10O3/c1-20(11-4-12-29-20)19(28)26-25-18(27)17-6-3-2-5-15(17)13-14-7-9-16(10-8-14)21(22,23)24;1-20(11-4-12-27-20)19-26-25-18(28-19)17-6-3-2-5-15(17)13-14-7-9-16(10-8-14)21(22,23)24;16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(21)20-19;1-6(5(7)8)3-2-4-9-6/h2-3,5-10H,4,11-13H2,1H3,(H,25,27)(H,26,28);2-3,5-10H,4,11-13H2,1H3;1-8H,9,19H2,(H,20,21);2-4H2,1H3,(H,7,8)
InChIKeyLAOOSLYNZBZOMF-UHFFFAOYSA-N
XLogP12.54
TPSA217.23 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001219.21
LogP ≤ 512.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide?
The IUPAC name of 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide (CID 159294791) is 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide.
What is the SMILES notation for 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide?
The canonical SMILES for 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide is CC1(C(=O)NNC(=O)c2ccccc2Cc2ccc(C(F)(F)F)cc2)CCCO1.CC1(C(=O)O)CCCO1.CC1(c2nnc(-c3ccccc3Cc3ccc(C(F)(F)F)cc3)o2)CCCO1.NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide?
The InChIKey is LAOOSLYNZBZOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3.C21H19F3N2O2.C15H13F3N2O.C6H10O3/c1-20(11-4-12-29-20)19(28)26-25-18(27)17-6-3-2-5-15(17)13-14-7-9-16(10-8-14)21(22,23)24;1-20(11-4-12-27-20)19-26-25-18(28-19)17-6-3-2-5-15(17)13-14-7-9-16(10-8-14)21(22,23)24;16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(21)20-19;1-6(5(7)8)3-2-4-9-6/h2-3,5-10H,4,11-13H2,1H3,(H,25,27)(H,26,28);2-3,5-10H,4,11-13H2,1H3;1-8H,9,19H2,(H,20,21);2-4H2,1H3,(H,7,8).
What are the key properties of 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide?
2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide has a molecular weight of 1219.21 g/mol, XLogP of 12.54, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane-2-carboxylic acid;2-(2-methyloxolan-2-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole;2-methyl-N'-[2-[[4-(trifluoromethyl)phenyl]methyl]benzoyl]oxolane-2-carbohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide is sourced from PubChem (CID 159294791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).