N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

C15H19F3N4O — CID 167833360

IUPACN,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCc1nnc(N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H19F3N4O/c1-11-19-20-14(23-11)22(8-7-21(2)3)10-12-5-4-6-13(9-12)15(16,17)18/h4-6,9H,7-8,10H2,1-3H3
InChIKeyPUJXIYGCWSNAGD-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.97
Rot. Bonds6

About N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 167833360) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID167833360
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC NameN,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCc1nnc(N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H19F3N4O/c1-11-19-20-14(23-11)22(8-7-21(2)3)10-12-5-4-6-13(9-12)15(16,17)18/h4-6,9H,7-8,10H2,1-3H3
InChIKeyPUJXIYGCWSNAGD-UHFFFAOYSA-N
XLogP2.97
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 51097153
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N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
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2-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethyl]-1,3,4-oxadiazole
CID 47069271
3-[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065197
2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 60598768
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
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N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanesulfonamide
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CID 91610944
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (CID 167833360) is N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is Cc1nnc(N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is PUJXIYGCWSNAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-11-19-20-14(23-11)22(8-7-21(2)3)10-12-5-4-6-13(9-12)15(16,17)18/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 328.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(5-methyl-1,3,4-oxadiazol-2-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 167833360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).