7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C26H28F3N5O2 — CID 147456940

IUPAC7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCc1cc(-c2nnc(C(F)(F)F)o2)ccc1CN(C(=O)N1CC2(CCN(C)CC2)C1)c1ccccc1
InChIInChI=1S/C26H28F3N5O2/c1-18-14-19(22-30-31-23(36-22)26(27,28)29)8-9-20(18)15-34(21-6-4-3-5-7-21)24(35)33-16-25(17-33)10-12-32(2)13-11-25/h3-9,14H,10-13,15-17H2,1-2H3
InChIKeyDZEBLLIURJSXBO-UHFFFAOYSA-N
MW499.54 g/mol
LogP5.22
Rot. Bonds4

About 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 147456940) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID147456940
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC Name7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCc1cc(-c2nnc(C(F)(F)F)o2)ccc1CN(C(=O)N1CC2(CCN(C)CC2)C1)c1ccccc1
InChIInChI=1S/C26H28F3N5O2/c1-18-14-19(22-30-31-23(36-22)26(27,28)29)8-9-20(18)15-34(21-6-4-3-5-7-21)24(35)33-16-25(17-33)10-12-32(2)13-11-25/h3-9,14H,10-13,15-17H2,1-2H3
InChIKeyDZEBLLIURJSXBO-UHFFFAOYSA-N
XLogP5.22
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
CID 162598419
4-tert-butyl-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 140894608
4-methyl-N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide
CID 162598387
1-ethyl-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylazetidine-3-carboxamide
CID 126544289
1,1-dioxo-N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1,4-thiazinane-4-carboxamide
CID 140894438
4-(2-methylpropanoyl)-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide;N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide
CID 159266883
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenyl-2-thia-6-azaspiro[3.3]heptane-6-carboxamide
CID 171513953
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894051
4,4-difluoro-N-phenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;4,4-difluoro-N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
CID 159254833
1-oxo-N-(4-phenylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,4-thiazinane-4-carboxamide
CID 167496684
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544397
(3S,5R)-3,4,5-trimethyl-N-phenyl-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]piperazine-1-carboxamide
CID 154989725

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 147456940) is 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is Cc1cc(-c2nnc(C(F)(F)F)o2)ccc1CN(C(=O)N1CC2(CCN(C)CC2)C1)c1ccccc1.
What is the InChIKey of 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is DZEBLLIURJSXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c1-18-14-19(22-30-31-23(36-22)26(27,28)29)8-9-20(18)15-34(21-6-4-3-5-7-21)24(35)33-16-25(17-33)10-12-32(2)13-11-25/h3-9,14H,10-13,15-17H2,1-2H3.
What are the key properties of 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 147456940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).