4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine

C19H26F3N5O — CID 129342563

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine
SMILESCCc1noc(C2CCC(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)CC2)n1
InChIInChI=1S/C19H26F3N5O/c1-2-16-25-18(28-26-16)13-4-6-14(7-5-13)23-9-12-3-8-17-24-15(19(20,21)22)11-27(17)10-12/h11-14,23H,2-10H2,1H3/t12-,13?,14?/m0/s1
InChIKeyUJBUMVDPATXTHF-HSBZDZAISA-N
MW397.45 g/mol
LogP3.73
Rot. Bonds5

About 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine (PubChem CID 129342563) has the molecular formula C19H26F3N5O and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine
PubChem CID129342563
Molecular FormulaC19H26F3N5O
Molecular Weight397.45 g/mol
Exact Mass397.21
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine
SMILESCCc1noc(C2CCC(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)CC2)n1
InChIInChI=1S/C19H26F3N5O/c1-2-16-25-18(28-26-16)13-4-6-14(7-5-13)23-9-12-3-8-17-24-15(19(20,21)22)11-27(17)10-12/h11-14,23H,2-10H2,1H3/t12-,13?,14?/m0/s1
InChIKeyUJBUMVDPATXTHF-HSBZDZAISA-N
XLogP3.73
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine (CID 129342563) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine is CCc1noc(C2CCC(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)CC2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine?
The InChIKey is UJBUMVDPATXTHF-HSBZDZAISA-N. The full InChI is InChI=1S/C19H26F3N5O/c1-2-16-25-18(28-26-16)13-4-6-14(7-5-13)23-9-12-3-8-17-24-15(19(20,21)22)11-27(17)10-12/h11-14,23H,2-10H2,1H3/t12-,13?,14?/m0/s1.
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine has a molecular weight of 397.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 129342563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).