N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine

C18H19F3N4O — CID 134809303

IUPACN',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine
SMILESCc1noc2c(NCCN(C)C)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C18H19F3N4O/c1-11-16-17(26-24-11)15(22-7-8-25(2)3)10-14(23-16)12-5-4-6-13(9-12)18(19,20)21/h4-6,9-10H,7-8H2,1-3H3,(H,22,23)
InChIKeyRVFUNMWNQKFFRS-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.19
Rot. Bonds5

About N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine (PubChem CID 134809303) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine
PubChem CID134809303
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine
SMILESCc1noc2c(NCCN(C)C)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C18H19F3N4O/c1-11-16-17(26-24-11)15(22-7-8-25(2)3)10-14(23-16)12-5-4-6-13(9-12)18(19,20)21/h4-6,9-10H,7-8H2,1-3H3,(H,22,23)
InChIKeyRVFUNMWNQKFFRS-UHFFFAOYSA-N
XLogP4.19
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine (CID 134809303) is N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine is Cc1noc2c(NCCN(C)C)cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine?
The InChIKey is RVFUNMWNQKFFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-11-16-17(26-24-11)15(22-7-8-25(2)3)10-14(23-16)12-5-4-6-13(9-12)18(19,20)21/h4-6,9-10H,7-8H2,1-3H3,(H,22,23).
What are the key properties of N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine has a molecular weight of 364.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-7-yl]ethane-1,2-diamine is sourced from PubChem (CID 134809303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).