(4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane

C19H15ClF3N5O2S — CID 164518461

IUPAC(4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
SMILESCc1nc2ccc(-c3noc(C(F)(F)F)n3)cn2c1S(C)(=O)=NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF3N5O2S/c1-11-17(31(2,29)24-9-12-3-6-14(20)7-4-12)28-10-13(5-8-15(28)25-11)16-26-18(30-27-16)19(21,22)23/h3-8,10H,9H2,1-2H3
InChIKeyUPUFJXMXKZCBCO-UHFFFAOYSA-N
MW469.88 g/mol
LogP5.02
Rot. Bonds4

About (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane

(4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane (PubChem CID 164518461) has the molecular formula C19H15ClF3N5O2S and a molecular weight of 469.88 g/mol. Its IUPAC name is (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
PubChem CID164518461
Molecular FormulaC19H15ClF3N5O2S
Molecular Weight469.88 g/mol
Exact Mass469.06
IUPAC Name(4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
SMILESCc1nc2ccc(-c3noc(C(F)(F)F)n3)cn2c1S(C)(=O)=NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClF3N5O2S/c1-11-17(31(2,29)24-9-12-3-6-14(20)7-4-12)28-10-13(5-8-15(28)25-11)16-26-18(30-27-16)19(21,22)23/h3-8,10H,9H2,1-2H3
InChIKeyUPUFJXMXKZCBCO-UHFFFAOYSA-N
XLogP5.02
TPSA85.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.88
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chlorophenyl)-methyl-oxo-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-λ6-sulfane
CID 155269165
(2,6-dichlorophenyl)imino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane
CID 164518424
methyl-oxo-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-[4-(trifluoromethyl)phenyl]-λ6-sulfane
CID 155279206
methyl-oxo-prop-2-enyl-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-λ6-sulfane
CID 153332475
(4-methoxyphenyl)methyl-methyl-oxo-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518409
N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 147615340
N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532699
methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]imino-[4-(trifluoromethyl)phenyl]-λ6-sulfane
CID 155279202
3-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166793542
2-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 159412298
imino-methyl-oxo-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-λ6-sulfane
CID 139383494
methyl-oxo-pyridin-2-yl-[[7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518377

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane?
The IUPAC name of (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane (CID 164518461) is (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane.
What is the SMILES notation for (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane?
The canonical SMILES for (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane is Cc1nc2ccc(-c3noc(C(F)(F)F)n3)cn2c1S(C)(=O)=NCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane?
The InChIKey is UPUFJXMXKZCBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2S/c1-11-17(31(2,29)24-9-12-3-6-14(20)7-4-12)28-10-13(5-8-15(28)25-11)16-26-18(30-27-16)19(21,22)23/h3-8,10H,9H2,1-2H3.
What are the key properties of (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane?
(4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane has a molecular weight of 469.88 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methylimino-methyl-[2-methyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-oxo-λ6-sulfane is sourced from PubChem (CID 164518461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).