N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C16H21F3N4O — CID 129334176

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1nc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)oc1C
InChIInChI=1S/C16H21F3N4O/c1-10-11(2)24-15(20-10)9-22(3)6-12-4-5-14-21-13(16(17,18)19)8-23(14)7-12/h8,12H,4-7,9H2,1-3H3/t12-/m0/s1
InChIKeyGTCSGZWTAKXHIB-LBPRGKRZSA-N
MW342.37 g/mol
LogP3.20
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129334176) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129334176
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1nc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)oc1C
InChIInChI=1S/C16H21F3N4O/c1-10-11(2)24-15(20-10)9-22(3)6-12-4-5-14-21-13(16(17,18)19)8-23(14)7-12/h8,12H,4-7,9H2,1-3H3/t12-/m0/s1
InChIKeyGTCSGZWTAKXHIB-LBPRGKRZSA-N
XLogP3.20
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 86774834
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673203
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109428479
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430561
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine
CID 109431933
2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-oxazole-5-carboxamide
CID 121533199
2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124890657
2,4-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124890658
N,5-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-oxazole-4-carboxamide
CID 128965016
N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128965326
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128966555
4,5-Dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 128978590

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129334176) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cc1nc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is GTCSGZWTAKXHIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-10-11(2)24-15(20-10)9-22(3)6-12-4-5-14-21-13(16(17,18)19)8-23(14)7-12/h8,12H,4-7,9H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 342.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129334176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).